AG003C1V

3959-23-7 | 2-(PHENYLSULFONYL)ACETIC ACID

AG003C1V

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CAS Number	3959-23-7
Catalog Number	AG003C1V(AGN-PC-0JL3FP)
Chemical Name	2-(PHENYLSULFONYL)ACETIC ACID
IUPAC Name	2-(benzenesulfonyl)acetic acid
InChI	InChI=1S/C8H8O4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)
InChI Key	YTEFAALYDTWTLB-UHFFFAOYSA-N
MDL Number	MFCD00025042
Molecular Formula	C8H8O4S
Molecular Weight	200.2117
NSC Number	32353
SMILES	O=C(O)CS(=O)(C1=CC=CC=C1)=O
Synonyms	(phenylsulfonyl)acetic acid, 3959-23-7, 2-(phenylsulfonyl)acetic acid, 2-(benzenesulfonyl)acetic acid, Phenylsulfonylacetic acid, Acetic acid, (phenylsulfonyl)-, benzenesulfonyl-acetic acid, (benzenesulfonyl)acetic acid, MFCD00025042, 2-(phenylsulphonyl)acetic acid, NSC32353, benzenesulfonylacetic acid, AC1L1RFQ, phenyl sulfonylacetic acid, phenylsulfonyl acetic acid, phenylsulfonyl-acetic acid, ACMC-1CSX2, SCHEMBL270706, 2-(phenylsulfonyl) acetic acid, AC1Q768M, 2-(phenylsulfonyl)ethanoic acid, 2-(benzenesulfonyl)-acetic acid, CTK3J3174, ZINC39685, DTXSID10275641, YTEFAALYDTWTLB-UHFFFAOYSA-N, HMS1656A15, ALBB-009424, BBL008673, NSC-32353, SBB040033, STK177432, AKOS000271284, MCULE-6144829532, RP04241, RTR-015816, SDCCGMLS-0065649.P001, AJ-08889, AB0041261, DB-049441, TR-015816, BB 0219436, FT-0605009, ST45130419, Y8987, W-6278, A824638, I04-4295, J-506524, F2109-0039, aceticacid, C8H8O4S, 2-(Phenylsulfonyl)-acetic acid, CID59543,

Complexity	269
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	3
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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