AG003LST

4052-30-6 | 4-methylsulfonylbenzoic acid

AG003LST

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CAS Number	4052-30-6
Catalog Number	AG003LST(AGN-PC-0JLQUU)
Chemical Name	4-methylsulfonylbenzoic acid
EC Number	223-756-5
IUPAC Name	4-methylsulfonylbenzoic acid
InChI	InChI=1S/C8H8O4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key	AJBWNNKDUMXZLM-UHFFFAOYSA-N
MDL Number	MFCD00007564
Molecular Formula	C8H8O4S
Molecular Weight	200.2117
NSC Number	11336
SMILES	C1=C(C=CC(=C1)C(O)=O)[S](C)(=O)=O
Synonyms	4052-30-6, 4-(Methylsulfonyl)benzoic acid, 4-methylsulfonylbenzoic acid, p-methylsulfonylbenzoic acid, 4-methylsulphonylbenzoic acid, 4-Methanesulfonyl-benzoic acid, 4-(methylsulphonyl)benzoic acid, 4-Methylsulfonyl benzoic acid, 4-methanesulfonylbenzoic acid, Benzoic acid, 4-(methylsulfonyl)-, 4-(Methanesulfonyl)benzoic acid, p-(Methylsulphonyl)benzoic acid, Benzoic acid, p-(methylsulfonyl)-, 4-methylsulfonyl-benzoic acid, p-(methylsulfonyl)benzoic acid, p-(Methylsulfonyl)-benzoic acid, AJBWNNKDUMXZLM-UHFFFAOYSA-N, 4-Methylsulphonylbenzoic acid, 95%, MFCD00007564, EINECS 223-756-5, monomesyl benzoic acid, PubChem10871, AC1Q6TVQ, 4methylsulfonylbenzoic acid, 4-MethylsulfonylbenzoicAcid, ACMC-209jf2, 4-methansulfonylbenzoic acid, AC1L2TK2, AC1Q4GI1, AC1Q4GI2, SCHEMBL34837, p-Methylsulfonyl-benzoic Acid, KSC583E7N, CHEMBL99118, 4-(Methylsulphonyl)benzoicacid, 4-methanesulfonyl benzoic acid, 4-methylsulphonyl benzoic acid, 4-methylsulphonyl-benzoic acid, 4-Carboxyphenyl methyl sulphone, 4-methane sulfonyl benzoic acid, 4-(methylsulfonyl) benzoic acid, 4-(methylsulfonyl)-benzoic acid, CTK4I3276, KS-00000CAI, 4-(methanesulfonyl)-benzoic acid, DTXSID90193531, Benzoic acid,4-(methylsulfonyl)-, ZINC153751, NSC11336, ANW-29436, BBL003546, NSC-11336, SBB064012, STK803107, 2-(Methylsulphonyl)benzoic acid 98%, 4-(Methylsulfonyl)benzoic acid, 97%, AKOS000202041, AC-1225, CS-W001125, MCULE-1053721443, PS-4412, RP25775, RTR-016187, TRA0073204, AJ-13072, AK-46609, AN-15117, BC676657, BR-46609, SY002004, AB0008458, DB-006552, ST2411554, TL8006873, TR-016187, AM20061060, FT-0600628, M1932, ST45026583, ST51006830, EN300-10949, M-2253, 31530-EP2308858A1, 31530-EP2311816A1, 31530-EP2311817A1, MFCD00007564 (97+%), 052M306, 144310-EP2287165A2, 144310-EP2287166A2, 144310-EP2292620A2, I01-3650, J-506478, J-620022, W-106347, F8889-9279, C8H8O4S, 4-Methylsulphonylbenzoicacid, 4-Methanesulfonyl-benzoicacid, 2-(methylsulfonyl)benzoic acid, C8-H8-O4-S, CID77670, AR-1F7115, 4-(Methylsulfonyl)benzoic acid, 98% - 25G 25g, 42826-34-6,

Complexity	280
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	200.014g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	200.208g/mol
Monoisotopic Mass	200.014g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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