7-Methylbenz(A)anthracene-3,4-diol

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Basic information

CAS: 62641-70-7
Standard SMILES: Cc1c2ccccc2cc2c3c(ccc12)C(O)C(O)C=C3
InChIKey: UJJYHXUOXFTWOO-UHFFFAOYSA-N
Molecular formula: C19H16O2
Average molar mass: 276.3 g/mol
Monoisotopic mass: 276.11502975

Names & identifiers

Preferred name: 7-Methylbenz(A)anthracene-3,4-diol
IUPAC: 7-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol

Names & synonyms

62641-70-77-Methylbenz(A)anthracene-3,4-diol7-Methylbenz(a)anthracene-3,4-dihydrodiol3,4-Dihydro-3,4-dihydroxy-7-methylbenz(a)anthracene7-methyl-3,4-dihydrotetraphene-3,4-diolBENZ(a)ANTHRACENE, 3,4-DIHYDRO-3,4-DIHYDROXY-7-METHYL-DTXSID90978204

Database identifiers

CAS: 62641-70-7
PubChem CID: 44107
DTXSID: DTXSID90978204
Nikkaji: J149.218G

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 40.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 418

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Compound notes

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