Back to Search
Molecule
Aspirin
CAS: 50-78-2 · C9H8O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 50-78-2
- Molecular Formula
- C9H8O4
- Molecular Mass
- 180.16 g/mol
Identifiers
CAS Registry Number
50-78-2
SMILES
CC(=O)Oc1ccccc1C(=O)O
InChI Key
BSYNRYMUTXBXSQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
Names and Synonyms
- Aspirin Common Name
- Benzoic acid, 2-(acetyloxy)- Synonym
- Rhodine Synonym
- Salicylic acid acetate Synonym
- 2-(Acetyloxy)benzoic acid Synonym
- Aceticyl Synonym
- Acetilum acidulatum Synonym
- Acetophen Synonym
- Acetosal Synonym
- Acetosalic acid Synonym
- Acetosalin Synonym
- o-Acetoxybenzoic acid Synonym
- 2-Acetoxybenzoic acid Synonym
- Acetylin Synonym
- Acetylsal Synonym
- Acidum acetylsalicylicum Synonym
- Acylpyrin Synonym
- Aspirin Synonym
- Aspirine Synonym
- Aspro Synonym
- Asteric Synonym
- A.S.A. Empirin Synonym
- Helicon Synonym
- Measurin Synonym
- Salacetin Synonym
- Salcetogen Synonym
- Saletin Synonym
- Xaxa Synonym
- Acetylsalicylic acid Synonym
- Asagran Synonym
- Rhonal Synonym
- Acenterine Synonym
- SP 189 Synonym
- ASA Synonym
- Duramax Synonym
- Ecotrin Synonym
- Entrophen Synonym
- Enterosarine Synonym
- Neuronika Synonym
- Endydol Synonym
- Acetisal Synonym
- Colfarit Synonym
- Acisal Synonym
- Dolean pH 8 Synonym
- AC 5230 Synonym
- Acesal Synonym
- Polopiryna Synonym
- o-Carboxyphenyl acetate Synonym
- Triple-sal Synonym
- Rheumintabletten Synonym
- Idragin Synonym
- Yasta Synonym
- Benaspir Synonym
- Temperal Synonym
- Bialpirina Synonym
- 2-Carboxyphenyl acetate Synonym
- Globentyl Synonym
- Novid Synonym
- Globoid Synonym
- O-Acetylsalicylic acid Synonym
- Micristin Synonym
- Acetysal Synonym
- Acetard Synonym
- Medisyl Synonym
- Caprin Synonym
- ECM Synonym
- Empirin Synonym
- Istopirin Synonym
- o-(Acetyloxy)benzoic acid Synonym
- Endosprin Synonym
- Aspro Clear Synonym
- Kapsazal Synonym
- Aspropharm Synonym
- Zorprin Synonym
- Aspirina 03 Synonym
- Rhodine NC RP Synonym
- Acesan Synonym
- Miniasal Synonym
- Aspirin Protect 100 Synonym
- Aspirin Protect 300 Synonym
- Melhoral Synonym
- Claradin Synonym
- Coricidin Synonym
- Contrheuma Retard Synonym
- Aspalon Synonym
- Aspergum Synonym
- Bialpirinia Synonym
- Enterophen Synonym
- Solpyron Synonym
- Easprin Synonym
- Darvon Compound Synonym
- Extren Synonym
- Gelprin Synonym
- Nu-seals Synonym
- Supac Synonym
- Acetyonyl Synonym
- Persistin Synonym
- Acimetten Synonym
- Coricidin D Synonym
- Aspirdrops Synonym
- Salycylacetylsalicylic acid Synonym
- Ascriptin Synonym
- Crystar Synonym
- Ascoden 30 Synonym
- Asatard Synonym
- Entericin Synonym
- Albyl E Synonym
- Adiro Synonym
- Cardioaspirina Synonym
- Ewin Synonym
- Dominal Synonym
- Toldex Synonym
- NSC 27223 Synonym
- NSC 406186 Synonym
- Ascolong Synonym
- Aspirin-Direkt Synonym
- Asaflow Synonym
- Trombyl Synonym
- Magnecyl Synonym
- Lysoprin (pharmaceutical) Synonym
- Salospir Synonym
- Rhodine 2312 Synonym
- Astrix Synonym
- Mycropyrin Synonym
- Colsprin Synonym
- Ecosprin Synonym
- Cardioaspirin Synonym
- Anopyrin Synonym
- Ecopirin Synonym
- ThromboASS Synonym
- Coraspin Synonym
- Cardiomagnyl Synonym
- Angettes 75 Synonym
- Bayaspirin Synonym
- IWN 11 Synonym
- Rhodine 3118 Synonym
- Rhodine 3220 Synonym
- Zosprin Synonym
- Aspirina Synonym
- Rivo Synonym
- Durlaza Synonym
- Rodine 3220 Synonym
- Rhodine 3040 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 180.16 g/mol | CAS Common Chemistry |
| 180.15899999999996 g/mol | RDKit | |
| 180.159 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.40 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C(O)C=1C=CC=CC1OC(=O)C | CAS Common Chemistry |
| InChI | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) | CAS Common Chemistry |
| InChI Key | InChIKey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 135 °C | CAS Common Chemistry |
| Name | Aspirin | CAS Common Chemistry |
| Heavy Atom Count | 13 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
| 63.6 Ų | RDKit | |
| LogP | 1.3101 | RDKit |
| Molar Refractivity | 44.71030000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1111 | RDKit |
| 0.11 | chempirical lib | |
| Exact Mass | 180.042258736 g/mol | RDKit |
| Boiling Point | 197-200 °C @ 7 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
Convert
Quick conversion
MW = 180.16 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C9H8O4.
