Benzanthracene-3,4-dihydrodiol
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Basic information
- CAS
60839-18-1- Standard SMILES
OC1C=Cc2c(ccc3cc4ccccc4cc23)C1O- InChIKey
KUBYVPFVNKJERF-UHFFFAOYSA-N- Molecular formula
- C18H14O2
- Average molar mass
- 262.3 g/mol
- Monoisotopic mass
- 262.09937969
Overview
RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- Benzanthracene-3,4-dihydrodiol
- IUPAC
- 3,4-dihydrobenzo[a]anthracene-3,4-diol
- English name
- benzanthracene-3,4-dihydrodiol
- Molecular formula
- C18H14O2
- Molecular weight
- 262.3
Names & synonyms
3,4-Dihydrobenz(a)anthracene-3,4-diolBenzanthracene-3,4-dihydrodiol60839-18-1Benzo(a)anthracene-3,4-dihydrodiol3,4-Dihydroxy-3,4-dihydrobenz(a)anthraceneRefChem:1171653,4-dihydrotetraphene-3,4-diolBenz(a)anthracene-3,4-dihydrodiolDTXSID80976310Benz(a)anthracene-3,4-diol3,4-dihydro-3,4-dihydroxybenzanthraceneBenz(a)anthracene-3,4-diol, 3,4-dihydro-
Show more names
Benz[a]anthracene-3,4-diol, 3,4-dihydro-
Database identifiers
- CAS
60839-18-1- PubChem CID
- 107945
- DTXSID
DTXSID80976310- Nikkaji
- J562.232H
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
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Compound notes
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