AG003267

Name: Benzeneacetic acid, 2,4,6-trimethyl-α-oxo-
Brand: Angene Chemical
SKU: AG003267

3112-46-7 | Benzeneacetic acid, 2,4,6-trimethyl-α-oxo-

AG003267

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CAS Number	3112-46-7
Catalog Number	AG003267(AGN-PC-0R6FNO)
Chemical Name	Benzeneacetic acid, 2,4,6-trimethyl-α-oxo-
IUPAC Name	2-oxo-2-(2,4,6-trimethylphenyl)acetic acid
InChI	InChI=1S/C11H12O3/c1-6-4-7(2)9(8(3)5-6)10(12)11(13)14/h4-5H,1-3H3,(H,13,14)
InChI Key	IRSQOXNQMAUSTG-UHFFFAOYSA-N
MDL Number	MFCD00151834
Molecular Formula	C11H12O3
Molecular Weight	192.2112
SMILES	O=C(C1=C(C)C=C(C)C=C1C)C(O)=O
Synonyms	MESITYLGLYOXYLIC ACID, 3112-46-7, 2-Mesityl-2-oxoacetic acid, 2-oxo-2-(2,4,6-trimethylphenyl)acetic Acid, Mesitylglyoxylsaure, ACMC-20akkb, AC1MYSP2, SCHEMBL4593011, CTK4G6424, DTXSID30397511, Mesitylglyoxylic acid, AldrichCPR, IRSQOXNQMAUSTG-UHFFFAOYSA-N, 2,4,6-Trimethylbenzoylformic acid, ZINC2517098, MFCD00151834, SBB037951, AKOS009156463, MCULE-5244684123, ST086503, Benzeneacetic acid,2,4,6-trimethyl-a-oxo-, TC-166322, FT-0628237, Benzeneacetic acid, 2,4,6-trimethyl-alpha-oxo-, I04-13498, MESITYLGLYOXYLICACID, ACN-041804, CID3861678,

Complexity	235
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	2
Topological Polar Surface Area	54.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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