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Propionic Acid
CAS: 79-09-4 | C3H6O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
79-09-4
Molecular Formula:
C3H6O2
Molecular Mass:
74.08 g/mol
Names and Synonyms:
Propionic Acid
Propanoic acid
Propionic acid
Carboxyethane
Ethylformic acid
Metacetonic acid
Methylacetic acid
Prozoin
Pseudoacetic acid
Ethanecarboxylic acid
Luprosil
MonoProp
Antischim B
Propkorn
Propcorn
Adofeed
Toxi-Check
Identifiers:
SMILES:
CCC(=O)O
InChI:
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
Key Properties
Boiling Point
141.1 °C
CAS Common Chemistry
Melting Point
-20.7 °C
CAS Common Chemistry
Density
0.99 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 | 74.08 g/mol | CAS Common Chemistry |
| 74.079 g/mol | RDKit | |
| 74.036779432 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9930 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Propionic_acid | CAS Common Chemistry |
| Boiling Point | 141.1 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(O)CC | CAS Common Chemistry |
| InChI | InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5) | CAS Common Chemistry |
| InChI Key | InChIKey=XBDQKXXYIPTUBI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -20.7 °C | CAS Common Chemistry |
| Name | Propionic 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 | 0.481 | RDKit |
| Molar Refractivity | 17.9268 | RDKit |
