AG006WCU

5006-44-0 | 6-Methyl-4-oxo-4H-chromene-2-carboxylic acid

AG006WCU

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CAS Number	5006-44-0
Catalog Number	AG006WCU(AGN-PC-0JUYPR)
Chemical Name	6-Methyl-4-oxo-4H-chromene-2-carboxylic acid
IUPAC Name	6-methyl-4-oxochromene-2-carboxylic acid
InChI	InChI=1S/C11H8O4/c1-6-2-3-9-7(4-6)8(12)5-10(15-9)11(13)14/h2-5H,1H3,(H,13,14)
InChI Key	RKIDLZFIIVDZNX-UHFFFAOYSA-N
MDL Number	MFCD00239435
Molecular Formula	C11H8O4
Molecular Weight	204.1788
SMILES	O=C1C=C(C(O)=O)OC2=C1C=C(C)C=C2
Synonyms	6-Methylchromone-2-carboxylic acid, 5006-44-0, 6-methyl-4-oxo-4H-chromene-2-carboxylic acid, 4h-1-benzopyran-2-carboxylic acid, 6-methyl-4-oxo-, 6-methyl-4-oxochromene-2-carboxylic acid, RKIDLZFIIVDZNX-UHFFFAOYSA-N, 6-METHYL-4-OXO-4H-1-BENZOPYRAN-2-CARBOXYLIC ACID, Maybridge3_003393, AC1LEMMF, AC1Q2OA6, AC1Q6AG0, Oprea1_814757, SCHEMBL379054, CTK1H4949, ZINC57721, HMS1440K05, KS-000018WZ, 6017AH, CM-704, MFCD00239435, SBB076125, STK891480, AKOS000295930, ACM5006440, CCG-250404, MB01075, MCULE-2338530850, IDI1_014780, CC-22891, SC-58033, ST096425, 6-Methylchromone-2-carboxylic acid, 98%, DB-051720, BB 0255132, FT-0635511, M2725, A-7199, C-09969, 4H-1-Benzopyran-2-carboxylicacid, 6-methyl-4-oxo-, Z57066685, C11H8O4, AR-1H2222, CID688704, 5057-99-8,

Complexity	332
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.042g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.181g/mol
Monoisotopic Mass	204.042g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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