AG01A3DI

Name: 3-(Ethanesulfonyl)benzoic acid
Brand: Angene Chemical
SKU: AG01A3DI

861079-51-8 | 3-(Ethanesulfonyl)benzoic acid

AG01A3DI

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CAS Number	861079-51-8
Catalog Number	AG01A3DI
Chemical Name	3-(Ethanesulfonyl)benzoic acid
IUPAC Name	3-ethylsulfonylbenzoic acid
InChI	InChI=1S/C9H10O4S/c1-2-14(12,13)8-5-3-4-7(6-8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	VMVZOLNGJGAOET-UHFFFAOYSA-N
MDL Number	MFCD10032482
Molecular Formula	C9H10O4S
Molecular Weight	214.2383
SMILES	CCS(C1=CC(C(O)=O)=CC=C1)(=O)=O
Synonyms	3-(ethanesulfonyl)benzoic acid, 861079-51-8, SCHEMBL35184, 3-(ethylsulfonyl)benzoic acid, VMVZOLNGJGAOET-UHFFFAOYSA-N, ZINC20263251, AKOS009306285, MCULE-8859075495, NE14749, Z1665185297, 3-ethanesulfonyl-benzoic acid,

Complexity	301
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.235g/mol
Monoisotopic Mass	214.03g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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