AG01A31U

Name: 5-methanesulfonyl-2,3-dimethylbenzoic acid
Brand: Angene Chemical
SKU: AG01A31U

1423028-08-3 | 5-methanesulfonyl-2,3-dimethylbenzoic acid

AG01A31U

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CAS Number	1423028-08-3
Catalog Number	AG01A31U
Chemical Name	5-methanesulfonyl-2,3-dimethylbenzoic acid
IUPAC Name	2,3-dimethyl-5-methylsulfonylbenzoic acid
InChI	InChI=1S/C10H12O4S/c1-6-4-8(15(3,13)14)5-9(7(6)2)10(11)12/h4-5H,1-3H3,(H,11,12)
InChI Key	AKRNQKORJSYLCB-UHFFFAOYSA-N
MDL Number	MFCD22628462
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CC1=C(C)C(C(O)=O)=CC(S(C)(=O)=O)=C1
Synonyms	5-methanesulfonyl-2,3-dimethylbenzoic acid, 1423028-08-3, ZINC84086020, AKOS033399029, MCULE-6298273426, NE17651, Z1526503435,

Complexity	341
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	228.046g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	228.262g/mol
Monoisotopic Mass	228.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

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