benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt

HCID 44361
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Basic information

CAS
63041-33-8
Standard SMILES
O=C([O-])c1ccc2c(cc3ccc4cccc5ccc2c3c45)c1C(=O)[O-].[Na+].[Na+]
InChIKey
YSXWLJGNGBZMHU-UHFFFAOYSA-L
Molecular formula
C22H10Na2O4
Average molar mass
384.3 g/mol
Monoisotopic mass
384.03744736

Names & identifiers

Preferred name
benzo(a)pyrene-7,8-dicarboxylic acid, sodium salt
IUPAC
disodium;benzo[a]pyrene-7,8-dicarboxylate
English name
Benzo[a]pyrene-7,8-dicarboxylic acid disodium salt
Molecular weight
0

Names & synonyms

Sodium 3:4-benzpyrene-3':4'-dicarboxylateSodium benzo(a)pyrene-7,8-dicarboxylic acid63041-33-8BENZO(a)PYRENE-7,8-DICARBOXYLIC ACID, SODIUM SALTRefChem:326103DTXSID70978969Disodium benzo[pqr]tetraphene-7,8-dicarboxylateBenzo[a]pyrene-7,8-dicarboxylic acid disodium salt

Database identifiers

CAS
63041-33-8
PubChem CID
44361
DTXSID
DTXSID70978969
Nikkaji
J87.907J

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

Related reactions

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Compound notes

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