Pyrocatechol, 3-methyl-5-phenyl-
Basic information
- CAS
95913-42-1- Standard SMILES
Cc1cc(-c2ccccc2)cc(O)c1O- InChIKey
POAFXCLPGSBUKP-UHFFFAOYSA-N- Molecular formula
- C13H12O2
- Average molar mass
- 200.23 g/mol
Names & identifiers
- Preferred name
- Pyrocatechol, 3-methyl-5-phenyl-
- IUPAC
- 3-methyl-5-phenylbenzene-1,2-diol
- English name
- Pyrocatechol, 3-methyl-5-phenyl- (7CI)
- Molecular formula
- C13H12O2
- Molecular weight
- 200.23
Names & synonyms
95913-42-1PYROCATECHOL, 3-METHYL-5-PHENYL-DB-2894823-Methyl-5-phenyl-brenzcatechin[1,1'-Biphenyl]-3,4-diol, 5-methyl-Pyrocatechol, 3-methyl-5-phenyl- (7CI)
Database identifiers
- CAS
95913-42-1- Nikkaji
- J161.666H
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Physicochemical properties
- Boiling point
- 362.6 · 362.6±30.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 9.69 · 9.69±0.15(Predicted)
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Compound notes
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