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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 Mass:
72.06 g/mol
Names and Synonyms:
Acrylic Acid
2-Propenoic acid
Acrylic acid
Acroleic acid
Ethylenecarboxylic acid
Vinylformic acid
Propenoic acid
NSC 4765
LX 300
LX 300 (crosslinking agent)
B 60-1
HF 3050
Liroudan FR-RV
Relugan FR-RV
RA 238
TM 1202
Acrylic Acid Glacial
Identifiers:
SMILES:
C=CC(=O)O
InChI:
InChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)
Key Properties
Boiling Point
141 °C @ Press: 760 Torr
CAS Common Chemistry
Melting Point
12.3 °C
CAS Common Chemistry
Density
1.05 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 72.06 g/mol | CAS Common Chemistry |
| 72.06299999999999 g/mol | RDKit | |
| 72.021129368 g/mol | RDKit | |
| Density | 1.05 g/cm³ | CAS Common Chemistry |
| 1.0511 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Acrylic_acid | CAS Common Chemistry |
| Boiling Point | 141 °C @ Press: 760 Torr | 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 |
| Molar Refractivity | 17.8328 | RDKit |
