Compound C9H9NO4

2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid

CAS: 4430-97-1

Molecular Formula	`C9H9NO4`
Molecular Weight	195.17 g/mol
LogP	-3.4
Topological Polar Surface Area	97.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	195.05316
Heavy Atoms	14
Complexity	354.0

Chemical Identifiers

CAS Number	4430-97-1
SMILES	`C1=CC(=O)C(=O)C=C1CC(C(=O)O)N`
InChIKey	`AHMIDUVKSGCHAU-UHFFFAOYSA-N`

📖 Product Overview

Compound C9H9NO4 (CAS: 4430-97-1) is a chemical compound with molecular formula C9H9NO4 and molecular weight 195.17 g/mol. Its IUPAC systematic name is 2-amino-3-(3,4-dioxocyclohexa-1,5-dien-1-yl)propanoic acid. LogP -3.4 Topological Polar Surface Area 97.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 195.05316 Heavy Atoms 14 Complexity 354.0 InChI Key: AHMIDUVKSGCHAU-UHFFFAOYSA-N. SMILES: C1=CC(=O)C(=O)C=C1CC(C(=O)O)N.

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