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Aspirin
CAS: 50-78-2 | C9H8O4
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
50-78-2
Molecular Formula:
C9H8O4
Molecular Weight:
180.15899999999996 g/mol
Names and Synonyms:
Aspirin
Common Name
ECM
Synonym
Caprin
Synonym
Medisyl
Synonym
Acetard
Synonym
Acetylsalicylic acid
Synonym
Xaxa
Synonym
Saletin
Synonym
Salcetogen
Synonym
Salacetin
Synonym
Measurin
Synonym
Helicon
Synonym
A.S.A. Empirin
Synonym
Asteric
Synonym
Aspro
Synonym
Aspirine
Synonym
Aspirin
Synonym
Acylpyrin
Synonym
Acidum acetylsalicylicum
Synonym
Acetylsal
Synonym
Acetylin
Synonym
2-Acetoxybenzoic acid
Synonym
o-Acetoxybenzoic acid
Synonym
Acetosalin
Synonym
Acetosalic acid
Synonym
Acetosal
Synonym
Acetophen
Synonym
Acetilum acidulatum
Synonym
Aceticyl
Synonym
2-(Acetyloxy)benzoic acid
Synonym
Salicylic acid acetate
Synonym
Rhodine
Synonym
Benzoic acid, 2-(acetyloxy)-
Synonym
Empirin
Synonym
Rhodine 3040
Synonym
Rodine 3220
Synonym
Durlaza
Synonym
Rivo
Synonym
Aspirina
Synonym
Zosprin
Synonym
Rhodine 3220
Synonym
Rhodine 3118
Synonym
IWN 11
Synonym
Bayaspirin
Synonym
Angettes 75
Synonym
Cardiomagnyl
Synonym
Coraspin
Synonym
ThromboASS
Synonym
Ecopirin
Synonym
Anopyrin
Synonym
Cardioaspirin
Synonym
Ecosprin
Synonym
Colsprin
Synonym
Mycropyrin
Synonym
Astrix
Synonym
Rhodine 2312
Synonym
Salospir
Synonym
Lysoprin (pharmaceutical)
Synonym
Magnecyl
Synonym
Trombyl
Synonym
Asaflow
Synonym
Aspirin-Direkt
Synonym
Ascolong
Synonym
NSC 406186
Synonym
NSC 27223
Synonym
Toldex
Synonym
Dominal
Synonym
Ewin
Synonym
Cardioaspirina
Synonym
Adiro
Synonym
Albyl E
Synonym
Entericin
Synonym
Asatard
Synonym
Ascoden 30
Synonym
Crystar
Synonym
Ascriptin
Synonym
Salycylacetylsalicylic acid
Synonym
Aspirdrops
Synonym
Coricidin D
Synonym
Acimetten
Synonym
Persistin
Synonym
Acetyonyl
Synonym
Supac
Synonym
Nu-seals
Synonym
Gelprin
Synonym
Extren
Synonym
Darvon Compound
Synonym
Easprin
Synonym
Solpyron
Synonym
Enterophen
Synonym
Bialpirinia
Synonym
Aspergum
Synonym
Aspalon
Synonym
Contrheuma Retard
Synonym
Coricidin
Synonym
Claradin
Synonym
Melhoral
Synonym
Aspirin Protect 300
Synonym
Aspirin Protect 100
Synonym
Miniasal
Synonym
Acesan
Synonym
Rhodine NC RP
Synonym
Aspirina 03
Synonym
Zorprin
Synonym
Aspropharm
Synonym
Kapsazal
Synonym
Aspro Clear
Synonym
Endosprin
Synonym
o-(Acetyloxy)benzoic acid
Synonym
Istopirin
Synonym
Acetysal
Synonym
Micristin
Synonym
O-Acetylsalicylic acid
Synonym
Globoid
Synonym
Novid
Synonym
Globentyl
Synonym
2-Carboxyphenyl acetate
Synonym
Bialpirina
Synonym
Temperal
Synonym
Benaspir
Synonym
Yasta
Synonym
Idragin
Synonym
Rheumintabletten
Synonym
Triple-sal
Synonym
o-Carboxyphenyl acetate
Synonym
Polopiryna
Synonym
Acesal
Synonym
AC 5230
Synonym
Dolean pH 8
Synonym
Acisal
Synonym
Colfarit
Synonym
Acetisal
Synonym
Endydol
Synonym
Neuronika
Synonym
Enterosarine
Synonym
Entrophen
Synonym
Ecotrin
Synonym
Duramax
Synonym
ASA
Synonym
SP 189
Synonym
Acenterine
Synonym
Rhonal
Synonym
Asagran
Synonym
Identifiers:
SMILES:
CC(=O)Oc1ccccc1C(=O)O
InChI:
InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
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.
All Properties
Comprehensive physical and chemical properties
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 180.16 g/mol | Legacy Database |
| density | 1.40 g/cm³ | Legacy Database |
| cas-boiling-point | 197-200 °C @ Press: 7 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)C=1C=CC=CC1OC(=O)C None | Legacy Database |
| cas-density | 1.40 g/cm3 None | Legacy Database |
| cas-inchi | InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12) None | Legacy Database |
| cas-inchi-key | InChIKey=BSYNRYMUTXBXSQ-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 135 °C None | Legacy Database |
| cas-name | Aspirin None | Legacy Database |
| LogP | 1.3101 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 180.15899999999996 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 180.042258736 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 13 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 63.60000000000001 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 44.71030000000002 | RDKit |