pyrroloquinoline quinone

4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid

CAS: 72909-34-3

Molecular Formula	`C14H6N2O8`
Molecular Weight	330.21 g/mol
LogP	-0.1
Topological Polar Surface Area	175.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	9
Rotatable Bonds	3
Exact Mass	330.01242
Heavy Atoms	24
Complexity	647.0

Chemical Identifiers

CAS Number	72909-34-3
SMILES	`C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O`
InChIKey	`MMXZSJMASHPLLR-UHFFFAOYSA-N`

📖 Product Overview

pyrroloquinoline quinone (CAS: 72909-34-3) is a chemical compound with molecular formula C14H6N2O8 and molecular weight 330.21 g/mol. Its IUPAC systematic name is 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid. LogP -0.1 Topological Polar Surface Area 175.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 9 Rotatable Bonds 3 Exact Mass 330.01242 Heavy Atoms 24 Complexity 647.0 InChI Key: MMXZSJMASHPLLR-UHFFFAOYSA-N. SMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O.

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