5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid

CAS: 64398-43-2

Molecular Formula	`C11H9ClO4`
Molecular Weight	240.64 g/mol
LogP	2.4
Topological Polar Surface Area	63.6 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	4
Rotatable Bonds	1
Exact Mass	240.01894
Heavy Atoms	16
Complexity	317.0

Chemical Identifiers

CAS Number	64398-43-2
SMILES	`CC1CC2=C(C=C(C=C2Cl)C(=O)O)C(=O)O1`
InChIKey	`CCFFMHQLCHYZLV-UHFFFAOYSA-N`

📖 Product Overview

5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid (CAS: 64398-43-2) is a chemical compound with molecular formula C11H9ClO4 and molecular weight 240.64 g/mol. Its IUPAC systematic name is 5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carboxylic acid. LogP 2.4 Topological Polar Surface Area 63.6 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 4 Rotatable Bonds 1 Exact Mass 240.01894 Heavy Atoms 16 Complexity 317.0 InChI Key: CCFFMHQLCHYZLV-UHFFFAOYSA-N. SMILES: CC1CC2=C(C=C(C=C2Cl)C(=O)O)C(=O)O1.

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