AG01A3NC

Name: 4-Ethyl-3-methanesulfonylbenzoic acid
Brand: Angene Chemical
SKU: AG01A3NC

213598-12-0 | 4-Ethyl-3-methanesulfonylbenzoic acid

AG01A3NC

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CAS Number	213598-12-0
Catalog Number	AG01A3NC
Chemical Name	4-Ethyl-3-methanesulfonylbenzoic acid
IUPAC Name	4-ethyl-3-methylsulfonylbenzoic acid
InChI	InChI=1S/C10H12O4S/c1-3-7-4-5-8(10(11)12)6-9(7)15(2,13)14/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key	UZXZPWZXZMHXNQ-UHFFFAOYSA-N
MDL Number	MFCD11639558
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CCC1=C(S(C)(=O)=O)C=C(C(O)=O)C=C1
Synonyms	4-ethyl-3-methanesulfonylbenzoic acid, 213598-12-0, SCHEMBL6295085, ZINC37227905, AKOS009461181, MCULE-4867698609, NE15224, Z1569709055,

Complexity	328
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	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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