Basic information
- CAS
70234-58-1- Standard SMILES
Cc1c2c(c(CO)c3ccc4ccccc4c13)[C@H](O)[C@@H](O)C=C2- InChIKey
SIKXDYPQKCQBHX-FXAWDEMLSA-N- Molecular formula
- C20H18O3
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.12559443
Names & identifiers
- Preferred name
- Benz(a)anthracene-8,9-diol, 8,9-dihydro-7-(hydroxymethyl)-12-methyl-, trans-
- IUPAC
- (8S,9S)-7-(hydroxymethyl)-12-methyl-8,9-dihydrobenzo[a]anthracene-8,9-diol
Names & synonyms
CCRIS 108470234-58-1BENZ(a)ANTHRACENE-8,9-DIOL, 8,9-DIHYDRO-7-(HYDROXYMETHYL)-12-METHYL-, trans-trans-7-Hydroxymethyl-12-methylbenz(a)anthracene-8,9-dihydrodiolDTXSID60220484trans-7-(Hydroxymethyl)-12-methylbenz(a)anthracene-8,9-dihydrodioltrans-8,9-Dihydro-7-(hydroxymethyl)-12-methylbenz(a)anthracene-8,9-diolRefChem:321049DTXCID60142975(8S,9S)-7-(Hydroxymethyl)-12-methyl-8,9-dihydrotetraphene-8,9-diol
Database identifiers
- CAS
70234-58-1- PubChem CID
- 51017
- DTXSID
DTXSID60220484
Properties
Computed structural properties
- XLogP
- 2.8
- 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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