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Molecule
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
Identifiers
CAS Registry Number
79-09-4
SMILES
CCC(=O)O
InChI Key
XBDQKXXYIPTUBI-UHFFFAOYSA-N
InChI
InChI=1S/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)
Names and Synonyms
- Propionic Acid Common Name
- Propanoic acid Synonym
- Propionic acid Synonym
- Carboxyethane Synonym
- Ethylformic acid Synonym
- Metacetonic acid Synonym
- Methylacetic acid Synonym
- Prozoin Synonym
- Pseudoacetic acid Synonym
- Ethanecarboxylic acid Synonym
- Luprosil Synonym
- MonoProp Synonym
- Antischim B Synonym
- Propkorn Synonym
- Propcorn Synonym
- Adofeed Synonym
- Toxi-Check Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 74.08 g/mol | CAS Common Chemistry |
| 74.079 g/mol | RDKit | |
| Density | 0.99 g/cm³ | CAS Common Chemistry |
| 0.9930 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 74.036779432 g/mol | RDKit |
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
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Quick conversion
MW = 74.08 g/mol; density = 0.990 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3H6O2.
