Basic information
- CAS
63041-32-7- Standard SMILES
O=C([O-])c1ccc2c(cc3ccc4cccc5ccc2c3c45)c1C(=O)[O-].[K+].[K+]- InChIKey
FGELFSFFGQLZKZ-UHFFFAOYSA-L- Molecular formula
- C22H10K2O4
- Average molar mass
- 416.5 g/mol
- Monoisotopic mass
- 415.98532177
Names & identifiers
- Preferred name
- benzo(a)pyrene-7,8-dicarboxylic acid, potassium salt
- IUPAC
- dipotassium;benzo[a]pyrene-7,8-dicarboxylate
- English name
- Benzo[a]pyrene-7,8-dicarboxylic acid dipotassium salt
- Molecular formula
- C22H13KO4
- Molecular weight
- 380.44
Names & synonyms
63041-32-7Potassium 3:4-benzpyrene-3':4'-dicarboxylateBENZO(a)PYRENE-7,8-DICARBOXYLIC ACID, POTASSIUM SALTPotassium benzo(a)pyrene-7,8-dicarboxylic acidDTXSID70212355RefChem:326102DTXCID70134846Dipotassium benzo[pqr]tetraphene-7,8-dicarboxylateDipotassium benzo[a]pyrene-7,8-dicarboxylateBenzo[a]pyrene-7,8-dicarboxylic acid dipotassium salt
Database identifiers
- CAS
63041-32-7- PubChem CID
- 44359
- DTXSID
DTXSID70212355- Nikkaji
- J87.906A
Properties
Computed structural properties
- Topological polar surface area
- 80.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 590
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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