chorismic acid

(3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid

CAS: 617-12-9

Molecular Formula	`C10H10O6`
Molecular Weight	226.18 g/mol
LogP	0.2
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	226.04774
Heavy Atoms	16
Complexity	392.0

Chemical Identifiers

CAS Number	617-12-9
SMILES	`C=C(C(=O)O)OC1C=C(C=CC1O)C(=O)O`
InChIKey	`WTFXTQVDAKGDEY-HTQZYQBOSA-N`

📖 Product Overview

chorismic acid (CAS: 617-12-9) is a chemical compound with molecular formula C10H10O6 and molecular weight 226.18 g/mol. Its IUPAC systematic name is (3R,4R)-3-(1-carboxyethenoxy)-4-hydroxycyclohexa-1,5-diene-1-carboxylic acid. LogP 0.2 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 226.04774 Heavy Atoms 16 Complexity 392.0 InChI Key: WTFXTQVDAKGDEY-HTQZYQBOSA-N. SMILES: C=C(C(=O)O)OC1C=C(C=CC1O)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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