7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid

7-(carboxymethyl)-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid

Also Known As: NCIOpen2_006973|7-(Carboxymethyl)-2-hydroxy-3-oxo-1,4,6-cycloheptatriene-1-carboxylic acid|AS-0297|7-(carboxymethyl)-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-carboxylic acid|AG-207/12954003|1,3,6-CYCLOHEPTATRIENE-1-ACETIC ACID, 7-CARBOXY-6-HYDROXY-5-OXO-|2-[7-(dihydroxymethylidene)-5,6-dioxocyclohepta-1,3-dien-1-yl]acetic acid|7-(carboxymethyl)-2-hydroxy-3-oxocyclohepta-1,4,6-triene-1-c|7-CARBOXY-6-HYDROXY-5-OXO-1,3,6-CYCLOHEPTATRIENE-1-ACETIC ACID|2-Carboxymethyl-6-hydroxy-7-oxo-cyclohepta-1,3,5-triencarbonsaeure|2-[7-(dihydroxymethylene)-5,6-diketo-cyclohepta-1,3-dien-1-yl]acetic acid|2-[7-(dihydroxymethylidene)-5,6-dioxo-1-cyclohepta-1,3-dienyl]acetic acid|acetic acid, 2-(2-carboxy-4-hydroxy-3-oxo-1,4,6-cycloheptatrienyl)-|7-(carboxymethyl)-2-hydroxy-3-keto-cyclohepta-1,4,6-triene-1-carboxylic acid|7-(carboxymethyl)-2-hydroxy-3-oxo-cyclohepta-1,4,6-triene-1-carboxylic acid|2-[7-[bis(oxidanyl)methylidene]-5,6-bis(oxidanylidene)cyclohepta-1,3-dien-1-yl]ethanoic acid

Molecular Formula	C10H8O6
Molecular Weight	224.03209 g/mol
LogP	0.3
Topological Polar Surface Area	112.0 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	224.03209
Monoisotopic Mass	224.03209
Heavy Atoms	16
Complexity	452.0

Chemical Identifiers

CAS Number	4666-80-2
SMILES	C1=CC(=O)C(=C(C(=C1)CC(=O)O)C(=O)O)O
InChIKey	GROJNADPOMHDCI-UHFFFAOYSA-N