7-Methyl-7,8,9,10-tetrahydrobenzo(a)pyren-7-ol
Basic information
- CAS
83516-21-6- Standard SMILES
CC1(O)CCCc2c1cc1ccc3cccc4ccc2c1c34- InChIKey
OOJSYOIOWLRDIY-UHFFFAOYSA-N- Molecular formula
- C21H18O
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.13576519
Names & identifiers
- Preferred name
- 7-Methyl-7,8,9,10-tetrahydrobenzo(a)pyren-7-ol
- IUPAC
- 7-methyl-9,10-dihydro-8H-benzo[a]pyren-7-ol
Names & synonyms
7-Methyl-7,8,9,10-tetrahydrobenzo(a)pyren-7-olBenzo(a)pyren-7-ol, 7,8,9,10-tetrahydro-7-methyl-83516-21-694849-91-9DTXSID309152597-Methyl-7,8,9,10-tetrahydrobenzo[pqr]tetraphen-7-ol
Database identifiers
- CAS
83516-21-6、94849-91-9- PubChem CID
- 186552
- DTXSID
DTXSID30915259
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 445
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