AG0038TF

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CAS Number	33963-58-5
Catalog Number	AG0038TF(AGN-PC-00HVTB)
Chemical Name	4-Methanesulfinylbenzoic acid
IUPAC Name	4-methylsulfinylbenzoic acid
InChI	InChI=1S/C8H8O3S/c1-12(11)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key	DTKRTQFUPNGBLZ-UHFFFAOYSA-N
MDL Number	MFCD06655321
Molecular Formula	C8H8O3S
Molecular Weight	184.2123
SMILES	OC(=O)c1ccc(cc1)S(=O)C
Synonyms	4-(methylsulfinyl)benzoic acid, 33963-58-5, 4-methanesulfinylbenzoic acid, 4-Methylsulfinylbenzoic acid, AC1NLPSP, PubChem15338, AC1Q4GS0, 4-(Methylsulfinyl)-benzoesaure, SCHEMBL3644304, CTK4H1535, DTXSID80406965, Benzoic acid,4-(methylsulfinyl)-, DTKRTQFUPNGBLZ-UHFFFAOYSA-N, 4031AB, AKOS000123002, NE43824, QC-7393, 4-(methylsulfinyl)benzoic acid, AldrichCPR, TL8006888, FT-0694232, EN300-12434, J-515824, Z166605552, 4-methylsulfinylbenzoate, C8H8O3S, 4-(Methylsulfinyl)benzoicacid, CID4961892,

Complexity	195
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	184.019g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	184.209g/mol
Monoisotopic Mass	184.019g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	73.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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