3-Hydroxy-3,3-diphenylpropanoic acid
Basic information
- CAS
3609-48-1- Standard SMILES
O=C(O)CC(O)(c1ccccc1)c1ccccc1- InChIKey
WDPPERBMAUXJOJ-UHFFFAOYSA-N- Molecular formula
- C15H14O3
- Average molar mass
- 242.27 g/mol
- Monoisotopic mass
- 242.0942943
Names & identifiers
- Preferred name
- 3-Hydroxy-3,3-diphenylpropanoic acid
- IUPAC
- 3-hydroxy-3,3-diphenylpropanoic acid
- English name
- 3-Hydroxy-3,3-diphenylpropionic acid
- Molecular formula
- C15H14O3
- Molecular weight
- 242.27
Names & synonyms
3-hydroxy-3,3-diphenylpropanoic acid3609-48-13-hydroxy-3,3-diphenyl-propanoic acidNSC163033-Hydroxy-3,3-diphenylpropionic acidCambridge id 5466650Oprea1_044424SCHEMBL4619588CHEMBL5208222DTXSID00280305beta,beta-Diphenyl-hydracrylic acidNSC-16303
Show more names
Benzenepropanoic acid, β-hydroxy-β-phenyl-
STK182750AKOS003648272NCGC00338811-01DS-004880CS-0366012AB00085921-01AB00085921-03SR-01000209695
Database identifiers
- CAS
3609-48-1- PubChem CID
- 226147
- DTXSID
DTXSID00280305- ChEMBL
CHEMBL5208222- Nikkaji
- J23.093F
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 257
Physicochemical properties
- Melting point
- 213 °C · 213 °C
- Boiling point
- 418.3 · 418.3±33.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- pka
- 4.05 · 4.05±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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