Back to Search
Molecule
Dimethylolpropionic Acid
CAS: 4767-03-7 · C5H10O4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 4767-03-7
- Molecular Formula
- C5H10O4
- Molecular Mass
- 134.13 g/mol
Identifiers
CAS Registry Number
4767-03-7
SMILES
CC(CO)(CO)C(=O)O
InChI Key
PTBDIHRZYDMNKB-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9)
Names and Synonyms
- Dimethylolpropionic Acid Synonym
- Propanoic acid, 3-hydroxy-2-(hydroxymethyl)-2-methyl- Synonym
- Propionic acid, 2,2-bis(hydroxymethyl)- Synonym
- 3-Hydroxy-2-(hydroxymethyl)-2-methylpropanoic acid Synonym
- α,α-Dimethylolpropionic acid Synonym
- 2,2-Dimethylolpropionic acid Synonym
- 2,2-Bis(hydroxymethyl)propionic acid Synonym
- α,α-Bis(hydroxymethyl)propionic acid Synonym
- Dimethylolpropionic acid Synonym
- Propanoic acid, 2,2-bis(hydroxymethyl)- Synonym
- 2,2-Bis(hydroxymethyl)propanoic acid Synonym
- 2,2-Bis(methylol)propionic acid Synonym
- 2,2-Dihydroxymethylpropanoic acid Synonym
- NSC 96616 Synonym
- DMPA Synonym
- Nikkamer PA Synonym
- 3-Hydroxy-2-hydroxymethyl-2-methylpropionic acid Synonym
- Bis-MPA Synonym
- Bis(hydroxymethyl)propionic acid Synonym
- A 05150 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 134.13 g/mol | CAS Common Chemistry |
| 134.131 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Dimethylolpropionic_acid | CAS Common Chemistry |
| Canonical SMILES | O=C(O)C(C)(CO)CO | CAS Common Chemistry |
| InChI | InChI=1S/C5H10O4/c1-5(2-6,3-7)4(8)9/h6-7H,2-3H2,1H3,(H,8,9) | CAS Common Chemistry |
| InChI Key | InChIKey=PTBDIHRZYDMNKB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 190 °C | CAS Common Chemistry |
| Name | Dimethylolpropionic acid | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 77.76 Ų | RDKit |
| LogP | -0.9381000000000002 | RDKit |
| -0.9381 | RDKit | |
| Molar Refractivity | 29.91439999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 134.0579088 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
Convert
Quick conversion
MW = 134.13 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C5H10O4.
