prephenate

1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid

CAS: 126-49-8

Molecular Formula	`C10H10O6`
Molecular Weight	226.18 g/mol
LogP	-0.5
Topological Polar Surface Area	112.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	226.04774
Heavy Atoms	16
Complexity	378.0

Chemical Identifiers

CAS Number	126-49-8
SMILES	`C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O`
InChIKey	`FPWMCUPFBRFMLH-UHFFFAOYSA-N`

📖 Product Overview

prephenate (CAS: 126-49-8) is a chemical compound with molecular formula C10H10O6 and molecular weight 226.18 g/mol. Its IUPAC systematic name is 1-(2-carboxy-2-oxoethyl)-4-hydroxycyclohexa-2,5-diene-1-carboxylic acid. LogP -0.5 Topological Polar Surface Area 112.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 226.04774 Heavy Atoms 16 Complexity 378.0 InChI Key: FPWMCUPFBRFMLH-UHFFFAOYSA-N. SMILES: C1=CC(C=CC1O)(CC(=O)C(=O)O)C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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