Basic information
- CAS
5693-97-0- Standard SMILES
O=C(O)C(O)(CO)c1ccccc1- InChIKey
IWEPXSFVSUOTLW-UHFFFAOYSA-N- Molecular formula
- C9H10O4
- Average molar mass
- 182.17 g/mol
- Monoisotopic mass
- 182.0579088
Names & identifiers
- Preferred name
- 2-Phenylglyceric acid
- IUPAC
- 2,3-dihydroxy-2-phenylpropanoic acid
- English name
- 2-phenylglyceric acid
- Molecular formula
- C9H10O4
- Molecular weight
- 182.1733
Names & synonyms
2-Phenylglyceric acid2,3-dihydroxy-2-phenylpropanoic acid5693-97-0EINECS 227-162-7SCHEMBL1420815DTXSID90972368IWEPXSFVSUOTLW-UHFFFAOYSA-NDB-127397NS00047381α-Hydroxytropic acidα-Hydroxy-α-(hydroxymethyl)benzeneacetic acidBenzeneacetic acid, α-hydroxy-α-(hydroxymethyl)-
Database identifiers
- CAS
5693-97-0- PubChem CID
- 110692
- DTXSID
DTXSID90972368- EC Number
- 227-162-7
- Nikkaji
- J225.096I
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Melting point
- 149 °C · 149 °C
- Boiling point
- 416.2 · 416.2±45.0 °C(Predicted)
- Density
- 1.409 · 1.409±0.06 g/cm3(Predicted)
- pka
- 3.05 · 3.05±0.25(Predicted)
Chemistry & industry
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…