AG00EDTM

Name: 4-(3-methylphenyl)-4-oxobutanoic acid
Brand: Angene Chemical
SKU: AG00EDTM

59618-44-9 | 4-(3-methylphenyl)-4-oxobutanoic acid

AG00EDTM

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CAS Number	59618-44-9
Catalog Number	AG00EDTM(AGN-PC-0SSVE2)
Chemical Name	4-(3-methylphenyl)-4-oxobutanoic acid
IUPAC Name	4-(3-methylphenyl)-4-oxobutanoic acid
InChI	InChI=1S/C11H12O3/c1-8-3-2-4-9(7-8)10(12)5-6-11(13)14/h2-4,7H,5-6H2,1H3,(H,13,14)
InChI Key	NZHPMZMVALJALH-UHFFFAOYSA-N
MDL Number	MFCD01320043
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	C(=O)(CCC(=O)O)c1cc(C)ccc1
Synonyms	4-(3-Methylphenyl)-4-oxobutyric acid, 59618-44-9, 4-(3-methylphenyl)-4-oxobutanoic acid, 4-Oxo-4-(m-tolyl)butanoic acid, AC1MC1P4, 3-(m-toluoyl)propionic acid, 4-oxo-4-m-tolylbutanoic acid, SCHEMBL4937541, CTK5B0206, DTXSID90374984, NZHPMZMVALJALH-UHFFFAOYSA-N, 3-(5-methylbenzoyl)propionic acid, ZINC2378640, 6394AE, 7027b, AKOS010909479, 4-Oxo-4-(3-methylphenyl)butanoic acid, BBV-33311112, J3.548.661E, F9994-5206, 4- -4-OXOBUTYRICACID, C11H12O3, CID2760002, 4-(3-methylphenyl)-4-oxo-butanoic Acid,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	192.079g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.214g/mol
Monoisotopic Mass	192.079g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

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