Basic information
- CAS
18787-78-5- Standard SMILES
Cc1c2ccccc2c(CO)c2c1ccc1cc(O)ccc12- InChIKey
FARDVKPKCUUPFX-UHFFFAOYSA-N- Molecular formula
- C20H16O2
- Average molar mass
- 288.3 g/mol
- Monoisotopic mass
- 288.11502975
Names & identifiers
- Preferred name
- Benz(a)anthracene-12-methanol, 3-hydroxy-7-methyl-
- IUPAC
- 12-(hydroxymethyl)-7-methylbenzo[a]anthracen-3-ol
Names & synonyms
3-Hydroxy-7-methylbenz(a)anthracene-12-methanol18787-78-5Benz(a)anthracene-12-methanol, 3-hydroxy-7-methyl-DTXSID50172105RefChem:321032DTXCID809459612-(hydroxymethyl)-7-methyltetraphen-3-ol
Database identifiers
- CAS
18787-78-5- PubChem CID
- 167751
- DTXSID
DTXSID50172105
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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