7-Hydroxymethylbenz(a)anthracene-8,9-dihydrodiol

HCID 3082102

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Basic information

CAS: 16053-72-8
Standard SMILES: OCc1c2c(cc3c1ccc1ccccc13)C=CC(O)C2O
InChIKey: IAVXTYVFOYQFLN-UHFFFAOYSA-N
Molecular formula: C19H16O3
Average molar mass: 292.3 g/mol
Monoisotopic mass: 292.10994437

Names & identifiers

Preferred name: 7-Hydroxymethylbenz(a)anthracene-8,9-dihydrodiol
IUPAC: 7-(hydroxymethyl)-8,9-dihydrobenzo[a]anthracene-8,9-diol
English name: 7-hydroxymethylbenz(a)anthracene-8,9-dihydrodiol
Molecular formula: C19H16O3
Molecular weight: 292.33

Names & synonyms

7-Ohmba-8,97-Hydroxymethylbenz(a)anthracene-8,9-dihydrodiol16053-72-8RefChem:106240Benz(a)anthracene-8,9-diol, 8,9-dihydro-7-(hydroxymethyl)-DTXSID809363387-(HYDROXYMETHYL)-8,9-DIHYDROTETRAPHENE-8,9-DIOLBenz[a]anthracene-8,9-diol, 8,9-dihydro-7-(hydroxymethyl)-

Database identifiers

CAS: 16053-72-8
PubChem CID: 3082102
DTXSID: DTXSID80936338

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 60.7 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 22
Formal charge: 0
Complexity: 434

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