Sodium 3:4-benzpyrene-3':4'-dicarboxylate

disodium;benzo[a]pyrene-7,8-dicarboxylate

CAS: 63041-33-8

Molecular Formula	`C22H10Na2O4`
Molecular Weight	384.3 g/mol
Topological Polar Surface Area	80.3 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	4
Rotatable Bonds	0
Exact Mass	384.03745
Heavy Atoms	28
Complexity	590.0

Chemical Identifiers

CAS Number	63041-33-8
SMILES	`C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5C(=O)[O-])C(=O)[O-])C=C2.[Na+].[Na+]`
InChIKey	`YSXWLJGNGBZMHU-UHFFFAOYSA-L`

📖 Product Overview

Sodium 3:4-benzpyrene-3':4'-dicarboxylate (CAS: 63041-33-8) is a chemical compound with molecular formula C22H10Na2O4 and molecular weight 384.3 g/mol. Its IUPAC systematic name is disodium;benzo[a]pyrene-7,8-dicarboxylate. Topological Polar Surface Area 80.3 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 4 Rotatable Bonds 0 Exact Mass 384.03745 Heavy Atoms 28 Complexity 590.0 InChI Key: YSXWLJGNGBZMHU-UHFFFAOYSA-L. SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5C(=O)[O-])C(=O)[O-])C=C2.[Na+].[Na+].

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