AG00ECMK

Name: 3-Methyl-1-oxoisochroman-3-carboxylic acid
Brand: Angene Chemical
SKU: AG00ECMK

633282-39-0 | 3-Methyl-1-oxoisochroman-3-carboxylic acid

AG00ECMK

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CAS Number	633282-39-0
Catalog Number	AG00ECMK(AGN-PC-0WBQ43)
Chemical Name	3-Methyl-1-oxoisochroman-3-carboxylic acid
IUPAC Name	3-methyl-1-oxo-4H-isochromene-3-carboxylic acid
InChI	InChI=1S/C11H10O4/c1-11(10(13)14)6-7-4-2-3-5-8(7)9(12)15-11/h2-5H,6H2,1H3,(H,13,14)
InChI Key	XHMJBIRHDOBCBN-UHFFFAOYSA-N
MDL Number	MFCD03131848
Molecular Formula	C11H10O4
Molecular Weight	206.1947
SMILES	O=C(C1=CC=CC=C1C2)OC2(C)C(O)=O
Synonyms	3-methyl-1-oxo-3,4-dihydro-1H-isochromene-3-carboxylic acid, 633282-39-0, 3-Methyl-1-oxoisochroman-3-carboxylic acid, 3-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid, 3-methyl-1-oxoisochromane-3-carboxylic acid, MLS000531877, AC1MGBHC, AC1Q2CXF, CHEMBL1427375, CTK7I5710, HMS1619G12, HMS2429P04, SBB084468, STK662683, AKOS001082403, AKOS016042178, CCG-121759, MCULE-1496096081, SMR000136856, ST4091516, EN300-10224, L-2385, 3-methyl-1-oxo-4H-isochromene-3-carboxylic acid, SR-01000300864, 3-methyl-1-oxo-4H-2-benzopyran-3-carboxylic acid, J-512831, SR-01000300864-1, F1762-0640, A3271/0139137, CID2983547,

Complexity	299
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.058g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.197g/mol
Monoisotopic Mass	206.058g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	63.6A^2
Undefined Atom Stereocenter Count	1
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