Benz(a)anthracene-3,4-diol, 3,4-dihydro-6-methyl-, trans-

HCID 152175

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 98600-98-7
Standard SMILES: Cc1cc2c(c3cc4ccccc4cc13)C=C[C@H](O)[C@H]2O
InChIKey: LNBSOHHDTLWCJR-OALUTQOASA-N
Molecular formula: C19H16O2
Average molar mass: 276.3 g/mol
Monoisotopic mass: 276.11502975

Names & identifiers

Preferred name: Benz(a)anthracene-3,4-diol, 3,4-dihydro-6-methyl-, trans-
IUPAC: (3S,4S)-6-methyl-3,4-dihydrobenzo[a]anthracene-3,4-diol

Names & synonyms

Benz(a)anthracene-3,4-diol, 3,4-dihydro-6-methyl-, trans-98600-98-7trans-3,4-Dihydroxy-3,4-dihydro-6-methylbenz(a)anthraceneCCRIS 5388TRANS-3,4-DIHYDROXY-3,4-DIHYDRO-6-METHYLBENZ[A]ANTHRACENEtrans-3,4-Dihydro-6-methylbenz(a)anthracene-3,4-diolDTXSID80243731(3S,4S)-6-Methyl-3,4-dihydrotetraphene-3,4-diol

Database identifiers

CAS: 98600-98-7
PubChem CID: 152175
DTXSID: DTXSID80243731

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

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…