AG01B2FY

Name: 4-Methyl-1-oxo-1H-isochromene-3-carboxylic acid
Brand: Angene Chemical
SKU: AG01B2FY

56661-74-6 | 4-Methyl-1-oxo-1H-isochromene-3-carboxylic acid

AG01B2FY

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CAS Number	56661-74-6
Catalog Number	AG01B2FY(AGN-PC-0NIV4K)
Chemical Name	4-Methyl-1-oxo-1H-isochromene-3-carboxylic acid
IUPAC Name	4-methyl-1-oxoisochromene-3-carboxylic acid
InChI	InChI=1S/C11H8O4/c1-6-7-4-2-3-5-8(7)11(14)15-9(6)10(12)13/h2-5H,1H3,(H,12,13)
InChI Key	PDPBEHRWSYREIE-UHFFFAOYSA-N
MDL Number	MFCD18432365
Molecular Formula	C11H8O4
Molecular Weight	204.1788
SMILES	CC1C2=C(C=CC=C2)C(=O)OC=1C(O)=O
Synonyms	56661-74-6, 4-methyl-1-oxo-1H-isochromene-3-carboxylic acid, 4-Methyl-1-oxo-1H-2-benzopyran-3-carboxylic acid, SCHEMBL10712200, CTK1F4095, DTXSID40495890, PDPBEHRWSYREIE-UHFFFAOYSA-N, ZINC39218876, 4-Methylisocoumarin-3-carboxylic acid, AKOS022647729, 4-methyl-isocoumarin-3-carboxylic acid, 4-Methylisocoumarin -3- carboxylic acid, 1H-2-Benzopyran-3-carboxylic acid, 4-methyl-1-oxo-, Z2489418727, 4-methyl-1-oxoisochromene-3-carboxylic acid,

Complexity	343
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	1.6

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited