Benz(a)anthracene-7-methanol, 2-hydroxy-12-methyl-
Basic information
- CAS
71136-42-0- Standard SMILES
Cc1c2ccccc2c(CO)c2ccc3ccc(O)cc3c12- InChIKey
QAPWZBJHQOYIIL-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- Benz(a)anthracene-7-methanol, 2-hydroxy-12-methyl-
- IUPAC
- 7-(hydroxymethyl)-12-methylbenzo[a]anthracen-2-ol
Names & synonyms
71136-42-02-Hydroxy-12-methylbenz(a)antrhacene-7-methanolBenz(a)anthracene-7-methanol, 2-hydroxy-12-methyl-DTXSID509914397-(Hydroxymethyl)-12-methyltetraphen-2-ol
Database identifiers
- CAS
71136-42-0- PubChem CID
- 135488
- DTXSID
DTXSID50991439
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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