AG003F38

33963-55-2 | 2-(Methylsulfonyl)benzoic acid

AG003F38

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CAS Number	33963-55-2
Catalog Number	AG003F38(AGN-PC-0JP7FO)
Chemical Name	2-(Methylsulfonyl)benzoic acid
IUPAC Name	2-methylsulfonylbenzoic acid
InChI	InChI=1S/C8H8O4S/c1-13(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChI Key	BZSXEZOLBIJVQK-UHFFFAOYSA-N
MDL Number	MFCD00216492
Molecular Formula	C8H8O4S
Molecular Weight	200.2117
NSC Number	140153
SMILES	CS(=O)(=O)C1=C(C=CC=C1)C(O)=O
Synonyms	2-(methylsulfonyl)benzoic acid, 33963-55-2, 2-methanesulfonylbenzoic acid, 2-methanesulfonyl-benzoic acid, 2-methylsulfonylbenzoic acid, 2-methanesulfonyl benzoic acid, Benzoic acid, 2-(methylsulfonyl)-, 2-(methylsulfonyl)benzenecarboxylic acid, 2-methylsulphonylbenzoic acid, 2-(Methanesulfonyl)benzoic acid, 2-(methylsulphonyl)benzoic acid, MFCD00216492, 2-Mesylbenzoic acid, NSC140153, PubChem18527, methylsulfonylbenzoic acid, Maybridge3_003169, AC1Q4GK3, AC1Q6US3, Oprea1_233472, SCHEMBL34748, 2-methylsulfonyl-benzoic acid, 2-(Methylsulfonyl)benzoicAcid, ACMC-20a352, AC1L60N3, Jsp006182, CTK4H1534, KS-00000CDJ, DTXSID20300953, methylsulfonylbenzenecarboxylicacid, Benzoic acid,2-(methylsulfonyl)-, BZSXEZOLBIJVQK-UHFFFAOYSA-N, HMS1440A01, ZINC153749, 2-Methylsulphonylbenzoic acid, 95%, ANW-54996, CCG-50045, SBB005803, AKOS000202040, 5L-603S, AC-2866, CS-W002528, MCULE-6380177013, NSC-140153, RP11710, TRA0047414, IDI1_014556, AJ-13071, AM808239, SY003199, AB0010424, ST2404045, TR-014140, FT-0676480, ST50319410, A-2152, MFCD00216492 (97+%), AA-516/30011012, SR-01000639454-1, I01-10315, Z57044274, F2167-2593, 2-Methanesulfonyl-benzoicacid, C8H8O4S, AR-1C9502, CID284342, ACN-050250, 2-(Methylsulfonyl)benzoic acid, 95% - 1G 1g, 34172-50-4,

Complexity	288
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+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number