Basic information
- CAS
78776-38-2- Standard SMILES
OCc1c2ccccc2c(CO)c2c1ccc1c(O)c(O)ccc12- InChIKey
GIFKXVYVTYJSRN-UHFFFAOYSA-N- Molecular formula
- C20H16O4
- Average molar mass
- 320.3 g/mol
- Monoisotopic mass
- 320.10485899
Names & identifiers
- Preferred name
- 7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol
- IUPAC
- 7,12-bis(hydroxymethyl)benzo[a]anthracene-3,4-diol
Names & synonyms
78776-38-2BENZ(a)ANTHRACENE-7,12-DIMETHANOL, 3,4-DIHYDROXY-7,12-Dihydroxymethylbenz(a)anthracene-3,4-diol3,4-Dihydroxybenz(a)anthracene-7,12-dimethanol7,12-bis(hydroxymethyl)tetraphene-3,4-diolDTXSID20229291
Database identifiers
- CAS
78776-38-2- PubChem CID
- 54271
- DTXSID
DTXSID20229291- Nikkaji
- J73.231A
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…