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Molecule
Acrylic Acid
CAS: 79-10-7 · C3H4O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79-10-7
- Molecular Formula
- C3H4O2
- Molecular Mass
- 72.06 g/mol
Identifiers
CAS Registry Number
79-10-7
SMILES
C=CC(=O)O
InChI Key
NIXOWILDQLNWCW-UHFFFAOYSA-N
InChI
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
Names and Synonyms
- Acrylic Acid Common Name
- 2-Propenoic acid Synonym
- Acrylic acid Synonym
- Acroleic acid Synonym
- Ethylenecarboxylic acid Synonym
- Vinylformic acid Synonym
- Propenoic acid Synonym
- NSC 4765 Synonym
- LX 300 Synonym
- LX 300 (crosslinking agent) Synonym
- B 60-1 Synonym
- HF 3050 Synonym
- Liroudan FR-RV Synonym
- Relugan FR-RV Synonym
- RA 238 Synonym
- TM 1202 Synonym
- Acrylic Acid Glacial Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.06 g/mol | CAS Common Chemistry |
| 72.06299999999999 g/mol | RDKit | |
| 72.063 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0511 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acrylic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=NIXOWILDQLNWCW-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 12.3 °C | CAS Common Chemistry |
| Name | Acrylic acid | CAS Common Chemistry |
| Heavy Atom Count | 5 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 37.3 Ų | RDKit |
| LogP | 0.25699999999999995 | RDKit |
| 0.257 | RDKit | |
| Molar Refractivity | 17.8328 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 72.021129368 g/mol | RDKit |
| Boiling Point | 141 °C @ 760 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 = 72.06 g/mol; density = 1.050 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H4O2.
