AG01A31G

Name: 2-ethyl-5-methanesulfonylbenzoic acid
Brand: Angene Chemical
SKU: AG01A31G

1423025-79-9 | 2-ethyl-5-methanesulfonylbenzoic acid

AG01A31G

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CAS Number	1423025-79-9
Catalog Number	AG01A31G
Chemical Name	2-ethyl-5-methanesulfonylbenzoic acid
IUPAC Name	2-ethyl-5-methylsulfonylbenzoic acid
InChI	InChI=1S/C10H12O4S/c1-3-7-4-5-8(15(2,13)14)6-9(7)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
InChI Key	IQYUYUBXOSBGDU-UHFFFAOYSA-N
MDL Number	MFCD22628455
Molecular Formula	C10H12O4S
Molecular Weight	228.2649
SMILES	CCC1=C(C(O)=O)C=C(S(C)(=O)=O)C=C1
Synonyms	2-ethyl-5-methanesulfonylbenzoic acid, 1423025-79-9, SCHEMBL18798838, ZINC83825309, AKOS020113797, MCULE-3650772952, NE28636, Z1526503457,

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