Benzo(a)pyrene-10-methanol
Basic information
- CAS
86803-18-1- Standard SMILES
OCc1cccc2cc3ccc4cccc5ccc(c12)c3c45- InChIKey
OZNRPDKLDNXMHO-UHFFFAOYSA-N- Molecular formula
- C21H14O
- Average molar mass
- 282.3 g/mol
- Monoisotopic mass
- 282.10446507
Names & identifiers
- Preferred name
- Benzo(a)pyrene-10-methanol
- IUPAC
- benzo[a]pyren-10-ylmethanol
Names & synonyms
Benzo(a)pyrene-10-methanol86803-18-1DTXSID20235817RefChem:326098DTXCID50158308(Benzo[pqr]tetraphen-10-yl)methanol
Database identifiers
- CAS
86803-18-1- PubChem CID
- 174571
- DTXSID
DTXSID20235817
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 418
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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