Benz[a]anthracene-2,3,4-triol, 1,2,3,4-tetrahydro-
Basic information
- CAS
78326-52-0- Standard SMILES
OC1Cc2c(ccc3cc4ccccc4cc23)C(O)C1O- InChIKey
XKOJNRIIGYARBJ-UHFFFAOYSA-N- Molecular formula
- C18H16O3
- Average molar mass
- 280.3 g/mol
- Monoisotopic mass
- 280.10994437
Names & identifiers
- Preferred name
- Benz[a]anthracene-2,3,4-triol, 1,2,3,4-tetrahydro-
- IUPAC
- 1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triol
Names & synonyms
78326-52-01,2,3,4-tetrahydrotetraphene-2,3,4-triol1,2,3,4-tetrahydrobenzo[a]anthracene-2,3,4-triolBenz[a]anthracene-2,3,4-triol, 1,2,3,4-tetrahydro-DTXSID50274310
Database identifiers
- CAS
78326-52-0- PubChem CID
- 1457
- DTXSID
DTXSID50274310
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 385
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Compound notes
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