(5s,6r)-8-Methyl-5,6-dihydrobenzo(c)anthracene-5,6-diol
Basic information
- CAS
94850-07-4- Standard SMILES
Cc1cccc2cc3c(cc12)[C@@H](O)[C@@H](O)c1ccccc1-3- InChIKey
BMDMHMOYCWQNOR-RBUKOAKNSA-N- Molecular formula
- C19H16O2
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.11502975
Names & identifiers
- Preferred name
- (5s,6r)-8-Methyl-5,6-dihydrobenzo(c)anthracene-5,6-diol
- IUPAC
- (5S,6R)-8-methyl-5,6-dihydrobenzo[a]anthracene-5,6-diol
Names & synonyms
94850-07-4(5s,6r)-8-methyl-5,6-dihydrobenzo(c)anthracene-5,6-diol(5S,6R)-8-methyl-5,6-dihydrotetraphene-5,6-diolDTXSID809152498-Methyl-5,6-dihydrotetraphene-5,6-diol
Database identifiers
- CAS
94850-07-4- PubChem CID
- 186567
- DTXSID
DTXSID80915249
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
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Related reactions
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Compound notes
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