AG008N53

7734-80-7 | 2-Oxo-2H-chromene-6-carboxylic acid

AG008N53

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CAS Number	7734-80-7
Catalog Number	AG008N53(AGN-PC-0LTFPA)
Chemical Name	2-Oxo-2H-chromene-6-carboxylic acid
IUPAC Name	2-oxochromene-6-carboxylic acid
InChI	InChI=1S/C10H6O4/c11-9-4-2-6-5-7(10(12)13)1-3-8(6)14-9/h1-5H,(H,12,13)
InChI Key	GEFDYGOYVXEKBE-UHFFFAOYSA-N
MDL Number	MFCD06203567
Molecular Formula	C10H6O4
Molecular Weight	190.1522
SMILES	O=C(C1=CC(C=CC2=O)=C(O2)C=C1)O
Synonyms	2-Oxo-2H-chromene-6-carboxylic acid, 7734-80-7, 6-Carboxycoumarin, Coumarin-6-carboxylic acid, 2-oxochromene-6-carboxylic acid, AK117360, AC1O5AIG, SCHEMBL1100153, CTK2H6924, KS-00000HBF, DTXSID00424000, GEFDYGOYVXEKBE-UHFFFAOYSA-N, 2093AC, FCH850777, MFCD06203567, ZINC19737046, 2-oxo-1-benzopyran-6-carboxylic acid, AKOS005264571, CC-1222, DS-4963, 2-oxidanylidenechromene-6-carboxylic acid, AJ-74760, 2-oxo-2H-1-Benzopyran-6-carboxylic acid, 2H-1-Benzopyran-6-carboxylicacid, 2-oxo-, AX8157695, DB-075296, TR-024728, 2H-1-Benzopyran-6-carboxylic acid, 2-oxo-, BB 0260739, FT-0657587, Z-1792, A839059, I14-7006, Coumarin-6-carboxylicacid, C10H6O4, 2-Oxo-2H-chromene-6-carboxylicacid, CID6430515,

Complexity	295
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.027g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.154g/mol
Monoisotopic Mass	190.027g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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