AG00BF8J

Name: 3-[(Methylsulfonyl)methyl]benzoic Acid
Brand: Angene Chemical
SKU: AG00BF8J

261924-94-1 | 3-[(Methylsulfonyl)methyl]benzoic Acid

AG00BF8J

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CAS Number	261924-94-1
Catalog Number	AG00BF8J(AGN-PC-0LK98V)
Chemical Name	3-[(Methylsulfonyl)methyl]benzoic Acid
IUPAC Name	3-(methylsulfonylmethyl)benzoic acid
InChI	InChI=1S/C9H10O4S/c1-14(12,13)6-7-3-2-4-8(5-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChI Key	VZNYDXZDGVYNJM-UHFFFAOYSA-N
MDL Number	MFCD07310995
Molecular Formula	C9H10O4S
Molecular Weight	214.2383
SMILES	CS(=O)(=O)CC1=CC(=CC=C1)C(=O)O
Synonyms	3-[(methylsulfonyl)methyl]benzoic acid, 261924-94-1, 3-(methylsulfonylmethyl)benzoic Acid, 3-(methanesulfonylmethyl)benzoic acid, 3-((Methylsulfonyl)methyl)benzoic acid, Benzoic acid, 3-[(methylsulfonyl)methyl]-, AC1NLQU9, AC1Q4GLZ, SCHEMBL35452, CTK7I8652, VZNYDXZDGVYNJM-UHFFFAOYSA-N, ZINC4206887, SBB079567, 3-(methylsulfonylmethyl)-benzoic acid, AKOS000302319, MCULE-7456505375, SC-82355, EN300-13685, Z-1126, SR-01000070788, J-511441, SR-01000070788-1, BRD-K20962911-001-01-8, Z90662852, 3-Methanesulfonylmethyl-benzoic acid, CID4962583,

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	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