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8-Chloro-4-oxo-4H-chromene-2-carboxylic Acid

8-Chloro-4-oxo-4H-chromene-2-carboxylic Acid - CAS 166538-98-3

Catalog:	BB012291
Product Name:	8-Chloro-4-oxo-4H-chromene-2-carboxylic Acid
CAS:	166538-98-3
Synonyms:	8-chloro-4-oxo-1-benzopyran-2-carboxylic acid; 8-chloro-4-oxochromene-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	8-chloro-4-oxochromene-2-carboxylic acid
Description:	8-Chloro-4-oxo-4H-chromene-2-carboxylic Acid (CAS# 166538-98-3 ) is a useful research chemical.
Molecular Weight:	224.60
Molecular Formula:	C10H5ClO4
Canonical SMILES:	C1=CC2=C(C(=C1)Cl)OC(=CC2=O)C(=O)O
InChI:	InChI=1S/C10H5ClO4/c11-6-3-1-2-5-7(12)4-8(10(13)14)15-9(5)6/h1-4H,(H,13,14)
InChI Key:	ISZWNLKXEBIAIJ-UHFFFAOYSA-N
LogP:	2.14460

Publication Number	Title	Priority Date
WO-2020223536-A1	Substituted cyclolakyls as modulators of the integrated stress pathway	20190430
TW-202106671-A	Modulators of the integrated stress pathway	20190430
KR-20200055868-A	4-oxo-4H-chromene-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-â…¡ receptor activity related diseases containing the same as an active ingredient	20181113
KR-102166428-B1	4-oxo-4H-chromene-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-â…¡ receptor activity related diseases containing the same as an active ingredient	20181113
WO-2020079106-A1	Chromen-4-one derivatives for the treatment and prophylaxis of hepatitis b virus disease	20181019

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Complexity:	336
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	223.9876363
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.9876363
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3