Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-
Basic information
- CAS
120014-86-0- Standard SMILES
O=[N+]([O-])c1ccc2ccc3c4c(cc5ccc1c2c53)C(O)CCC4- InChIKey
FKSUNMOWAIFBFJ-UHFFFAOYSA-N- Molecular formula
- C20H15NO3
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.10519334
Names & identifiers
- Preferred name
- Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-
- IUPAC
- 3-nitro-7,8,9,10-tetrahydrobenzo[a]pyren-7-ol
Names & synonyms
7,8,9,10-Tetrahydro-3-nitrobenzo(a)pyren-7-ol120014-86-0Benzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-3-nitro-RefChem:326079DTXSID609231853-nitro-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol
Database identifiers
- CAS
120014-86-0- PubChem CID
- 147456
- DTXSID
DTXSID60923185
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 518
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Compound notes
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