HuagongsheHuagongshe Chemistry Print Report · For research reference only
2,3-Dihydroxybenzenepropanoic acid
2,3-Dihydroxybenzenepropanoic Acid · 3-(2,3-dihydroxyphenyl)propanoic acid · 2,3-DihydroxyhydrocinnaMic Acid · 2,3-dihydroxyphenylpropionic acid · Benzenepropanoic acid, 2,3-dihydroxy- · 3-(2,3-Dihydroxyphenyl)propionic Acid
Identifiers & Physical Properties
| CAS No. | 3714-73-6 |
|---|---|
| Molecular formula | C9H10O4 |
| Average molar mass | 182.17 g/mol |
| Monoisotopic mass | 182.0579088 g/mol |
| SMILES | O=C(O)CCc1cccc(O)c1O |
| InChIKey | QZDSXQJWBGMRLU-UHFFFAOYSA-N |
| PubChem CID | 20 |
| ChEBI | CHEBI:18136 |
| EC No. | 884-891-9 |
| DTXSID | DTXSID70958342 |
Chemical & Physical Properties
| XLogP | 1 |
|---|---|
| Topological polar surface area | 77.8 |
| Hydrogen bond donors | 3 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 180 |
| Melting point | 118-122°C |
| Storage conditions | Hygroscopic, Refrigerator, under inert atmosphere |
| Solubility | DMSO, Methanol |
| Physical state | Solid |
| Color | Off-White to Pale Beige |
| FDA UNII | PUH669YNEK |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
Safety & Regulations
| Signal word | Warning |
|---|---|
| GHS pictogram | GHS07 |
| GHS hazard statements | H315-H319 |
| GHS precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 |
Applications & Uses
Uses
3-(2,3-Dihydroxyphenyl)propionic acid is a degradation product of the aromatic compound Phenylpropionate (PP).