AG000F57

114741-22-9 | 4H-1-Benzopyran-2-carboxylic acid, 7-chloro-4-oxo-

AG000F57

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CAS Number	114741-22-9
Catalog Number	AG000F57(AGN-PC-0K22IT)
Chemical Name	4H-1-Benzopyran-2-carboxylic acid, 7-chloro-4-oxo-
IUPAC Name	7-chloro-4-oxochromene-2-carboxylic acid
InChI	InChI=1S/C10H5ClO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4H,(H,13,14)
InChI Key	QTAXIAZVGOANTN-UHFFFAOYSA-N
MDL Number	MFCD00847040
Molecular Formula	C10H5ClO4
Molecular Weight	224.5973
SMILES	O=C(C1=CC(C2=C(O1)C=C(Cl)C=C2)=O)O
Synonyms	7-chloro-4-oxo-4H-chromene-2-carboxylic acid, 114741-22-9, 4H-1-Benzopyran-2-carboxylic acid, 7-chloro-4-oxo-, AC1LNZ6A, Oprea1_370506, AI-204/31682012, SCHEMBL6331139, DTXSID10361013, QTAXIAZVGOANTN-UHFFFAOYSA-N, ZINC984013, MFCD00847040, AKOS016846023, MB01526, MCULE-1536387568, 7-chloro-4-oxochromene-2-carboxylic acid, AJ-24632, AK-32152, DS-11918, EN002649, Z2372280107, CID1211402,

Complexity	336
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.988g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	224.596g/mol
Monoisotopic Mass	223.988g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P301+P312+P330
UN Code

Certificate of Analysis

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