Basic information
- CAS
89070-89-3- Standard SMILES
Cc1c2ccccc2c(CO)c2ccc3c(c12)C=CC(O)C3O- InChIKey
LXAPGYIZFBDBIB-UHFFFAOYSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- 7-(Hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
- IUPAC
- 7-(hydroxymethyl)-12-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol
- English name
- Benz(A)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-
- Molecular formula
- C20H18O3
- Molecular weight
- 306.35512
Names & synonyms
89070-89-3Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-(hydroxymethyl)-12-methyl-
Database identifiers
- CAS
89070-89-3- PubChem CID
- 190093
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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