Basic information
- CAS
73691-54-0- Standard SMILES
O[C@@H]1C=Cc2c(cc3ccc4c5ccccc5cc5ccc2c3c54)[C@H]1O- InChIKey
HZEOQOGOVQWTBR-ZJSXRUAMSA-N- Molecular formula
- C24H16O2
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.11502975
Names & identifiers
- Preferred name
- DIBENZO(b,def)CHRYSENE-1,2-DIOL, 1,2-DIHYDRO-, E-
- IUPAC
- (5R,6R)-hexacyclo[10.10.2.02,7.09,23.013,18.020,24]tetracosa-1(23),2(7),3,8,10,12(24),13,15,17,19,21-undecaene-5,6-diol
Names & synonyms
DIBENZO(b,def)CHRYSENE-1,2-DIOL, 1,2-DIHYDRO-, E-73691-54-0BRN 2008998trans-1,2-Dihydroxy-1,2-dihydrodibenzo(a,h)pyreneDTXSID50223984(1R,2R)-1,2-Dihydrodibenzo[c,pqr]tetraphene-1,2-diol
Database identifiers
- CAS
73691-54-0- PubChem CID
- 52220
- DTXSID
DTXSID50223984
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 585
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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