HEXANOIC ACID, 6-(6-CHLORO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXAMIDO)-

6-[(6-chloro-4-oxochromene-3-carbonyl)amino]hexanoic acid

CAS: 27455-40-9

Molecular Formula	`C16H16ClNO5`
Molecular Weight	337.75 g/mol
LogP	2.8
Topological Polar Surface Area	92.7 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	337.0717
Heavy Atoms	23
Complexity	505.0

Chemical Identifiers

CAS Number	27455-40-9
SMILES	`C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C(=O)NCCCCCC(=O)O`
InChIKey	`WVKSJNZDEOKELM-UHFFFAOYSA-N`

📖 Product Overview

HEXANOIC ACID, 6-(6-CHLORO-4-OXO-4H-1-BENZOPYRAN-2-CARBOXAMIDO)- (CAS: 27455-40-9) is a chemical compound with molecular formula C16H16ClNO5 and molecular weight 337.75 g/mol. Its IUPAC systematic name is 6-[(6-chloro-4-oxochromene-3-carbonyl)amino]hexanoic acid. LogP 2.8 Topological Polar Surface Area 92.7 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 337.0717 Heavy Atoms 23 Complexity 505.0 InChI Key: WVKSJNZDEOKELM-UHFFFAOYSA-N. SMILES: C1=CC2=C(C=C1Cl)C(=O)C(=CO2)C(=O)NCCCCCC(=O)O.

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