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Acrylic Acid
CAS: 79-10-7 | C3H4O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-10-7
Molecular Formula:
C3H4O2
Molecular Weight:
72.06299999999999 g/mol
Names and Synonyms:
Acrylic Acid
Common Name
Acrylic Acid Glacial
Synonym
TM 1202
Synonym
RA 238
Synonym
Relugan FR-RV
Synonym
Liroudan FR-RV
Synonym
HF 3050
Synonym
B 60-1
Synonym
LX 300 (crosslinking agent)
Synonym
LX 300
Synonym
NSC 4765
Synonym
Propenoic acid
Synonym
Vinylformic acid
Synonym
Ethylenecarboxylic acid
Synonym
Acroleic acid
Synonym
Acrylic acid
Synonym
2-Propenoic acid
Synonym
Identifiers:
SMILES:
C=CC(=O)O
InChI:
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
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 | 72.06 g/mol | Legacy Database |
| density | 1.05 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Acrylic_acid None | Legacy Database |
| cas-boiling-point | 141 °C @ Press: 760 Torr None | Legacy Database |
| cas-canonical-smile | O=C(O)C=C None | Legacy Database |
| cas-density | 1.0511 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5) None | Legacy Database |
| cas-inchi-key | InChIKey=NIXOWILDQLNWCW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 12.3 °C None | Legacy Database |
| cas-name | Acrylic acid None | Legacy Database |
| wikipedia-name | Acrylic acid None | Legacy Database |
| LogP | 0.25699999999999995 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 72.06299999999999 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 72.021129368 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 1 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 37.3 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 17.8328 | RDKit |