Basic information
- CAS
86513-64-6- Standard SMILES
O[C@@H]1[C@H](O)[C@@H](O)c2c(ccc3cc4ccccc4cc23)[C@H]1O- InChIKey
OBPNVPPKXVIGQS-VSZNYVQBSA-N- Molecular formula
- C18H16O4
- Average molar mass
- 296.3 g/mol
- Monoisotopic mass
- 296.10485899
Names & identifiers
- Preferred name
- 1,2,3,4-Tetrahydrobenz(a)anthracene-1,2,3,4-tetrol
- IUPAC
- (1S,2R,3S,4R)-1,2,3,4-tetrahydrobenzo[a]anthracene-1,2,3,4-tetrol
Names & synonyms
Benz(a)anthracene-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-1,2,3,4-Tetrahydrobenz(a)anthracene-1,2,3,4-tetrol86513-64-6
Database identifiers
- CAS
86513-64-6- PubChem CID
- 187516
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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