Basic information
- CAS
31894-64-1- Standard SMILES
CC(C(=O)O)c1cccc(C(=O)c2ccccc2)c1O- InChIKey
PNYKSCBMMRTDJD-UHFFFAOYSA-N- Molecular formula
- C16H14O4
- Average molar mass
- 270.28 g/mol
- Monoisotopic mass
- 270.08920892
Names & identifiers
- Preferred name
- 3-Benzoyl-2-hydroxyhydratropic acid
- IUPAC
- 2-(3-benzoyl-2-hydroxyphenyl)propanoic acid
- English name
- 3-benzoyl-2-hydroxyhydratropic acid
- Molecular formula
- C16H14O4
- Molecular weight
- 270.28
Names & synonyms
3-Benzoyl-2-hydroxyhydratropic acid31894-64-1EINECS 250-858-72-(3-benzoyl-2-hydroxyphenyl)propanoic acidSCHEMBL8576518DTXSID30953797PNYKSCBMMRTDJD-UHFFFAOYSA-NNS000508563-Benzoyl-α-methyl-2-hydroxybenzeneacetic acidBenzeneacetic acid, 3-benzoyl-2-hydroxy-α-methyl-
Database identifiers
- CAS
31894-64-1- PubChem CID
- 3015599
- DTXSID
DTXSID30953797- EC Number
- 250-858-7
- Nikkaji
- J278.206E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 359
Physicochemical properties
- Boiling point
- 440.7 · 440.7±35.0 °C(Predicted)
- Density
- 1.282 · 1.282±0.06 g/cm3(Predicted)
- pka
- 4.11 · 4.11±0.13(Predicted)
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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