BENZO(a)PYRENE-7,8-DIOL, DIACETATE (ester), (E)-
Basic information
- CAS
73785-34-9- Standard SMILES
CC(=O)Oc1ccc2c(cc3ccc4cccc5ccc2c3c45)c1OC(C)=O- InChIKey
FSPYWBWXIUJPSS-UHFFFAOYSA-N- Molecular formula
- C24H16O4
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.10485899
Names & identifiers
- Preferred name
- BENZO(a)PYRENE-7,8-DIOL, DIACETATE (ester), (E)-
- IUPAC
- (7-acetyloxybenzo[a]pyren-8-yl) acetate
Names & synonyms
BENZO(a)PYRENE-7,8-DIOL, DIACETATE (ester), (E)-73785-34-9trans-BP-7,8-dihydrodiol diacetatetrans-7,8-Diacetoxy-7,8-dihydrobenzo(a)pyreneDTXSID00224168Benzo[pqr]tetraphene-7,8-diyl diacetate
Database identifiers
- CAS
73785-34-9- PubChem CID
- 52444
- DTXSID
DTXSID00224168- Nikkaji
- J2.033.913F
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 630
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Compound notes
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