AG00I83H

Name: 2-(Ethanesulfinyl)benzoic acid
Brand: Angene Chemical
SKU: AG00I83H

41394-89-2 | 2-(Ethanesulfinyl)benzoic acid

AG00I83H

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CAS Number	41394-89-2
Catalog Number	AG00I83H(AGN-PC-00HVLC)
Chemical Name	2-(Ethanesulfinyl)benzoic acid
IUPAC Name	2-ethylsulfinylbenzoic acid
InChI	InChI=1S/C9H10O3S/c1-2-13(12)8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
InChI Key	OCMTWLNYDCQWEG-UHFFFAOYSA-N
MDL Number	MFCD06655512
Molecular Formula	C9H10O3S
Molecular Weight	198.2389
SMILES	CCS(C1=C(C(O)=O)C=CC=C1)=O
Synonyms	2-(ethanesulfinyl)benzoic acid, 41394-89-2, 2-(ethylsulfinyl)benzoic acid, SMR000068511, 2-ethylsulfinylbenzoic acid, AC1MH8B8, MLS000056016, AC1Q38E4, SCHEMBL9171525, CHEMBL1329045, CTK6G4777, Ethyl(2-carboxyphenyl) sulfoxide, Benzoic acid, 2-(ethylsulfinyl)-, HMS2361A22, MFCD06655512, AKOS008987392, MCULE-9408058966, NE20368, EN300-12807, J3.580.306H, Z85923150, CID2997876,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.035g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	198.236g/mol
Monoisotopic Mass	198.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.9

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