Basic information
- CAS
70644-19-8- Standard SMILES
Cc1ccc2cc3ccc4cccc5ccc(c2c1)c3c45- InChIKey
PPGFLJQLUCRDDM-UHFFFAOYSA-N- Molecular formula
- C21H14
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.10955045
Names & identifiers
- Preferred name
- 9-Methylbenzo[a]pyrene
- IUPAC
- 9-methylbenzo[a]pyrene
- English name
- 9-METHYLBENZO[A]PYRENE STANDARD SOLUTION
- Molecular formula
- C21H14
- Molecular weight
- 266.34
Names & synonyms
9-methylbenzo[a]pyrene9-Methylbenzo(a)pyrene70644-19-8BENZO(a)PYRENE, 9-METHYL-9-Methylbenzo[pqr]tetrapheneBenzo[a]pyrene, 9-methyl-CCRIS 2442BRN 23708189-Methylbenz[a]pyrene5LE42ZQ3QSSCHEMBL598132DTXSID20220925
Show more names
9-METHYLBENZO[A]PYRENE STANDARD SOLUTION9-Methylbenz[a]pyrene@50 μg/mL in Toluene
DB-197641
Database identifiers
- CAS
70644-19-8- PubChem CID
- 51117
- DTXSID
DTXSID20220925- UNII
- 5LE42ZQ3QS
- Nikkaji
- J518.588B
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 399
Physicochemical properties
- FDA UNII
- 5 LE42ZQ3QS · 5LE42ZQ3QS
Chemistry & industry
Suppliers3 total
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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