AG003K9F

56205-88-0 | 4-(Methylsulphonylamino)phenylacetic Acid

AG003K9F

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CAS Number	56205-88-0
Catalog Number	AG003K9F(AGN-PC-0KKVRF)
Chemical Name	4-(Methylsulphonylamino)phenylacetic Acid
IUPAC Name	2-[4-(methanesulfonamido)phenyl]acetic acid
InChI	InChI=1S/C9H11NO4S/c1-15(13,14)10-8-4-2-7(3-5-8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChI Key	FSTWMOUDEJBNAO-UHFFFAOYSA-N
MDL Number	MFCD03411195
Molecular Formula	C9H11NO4S
Molecular Weight	229.2529
SMILES	CS(=O)(=O)NC1=CC=C(CC(O)=O)C=C1
Synonyms	56205-88-0, 4-(Methylsulphonylamino)phenylacetic acid, 2-(4-(Methylsulfonamido)phenyl)acetic acid, 4-(METHANESULFONYLAMINO)PHENYLACETIC ACID, 2-(4-methanesulfonamidophenyl)acetic Acid, Benzeneacetic acid, 4-[(methylsulfonyl)amino]-, 2-[4-(methanesulfonamido)phenyl]acetic acid, {4-[(methylsulfonyl)amino]phenyl}acetic acid, AC1MCNLY, SCHEMBL1422207, methanesulfonamidophenylaceticacid, CTK1H2499, KS-00000CEF, DTXSID50378766, FSTWMOUDEJBNAO-UHFFFAOYSA-N, ZINC2524683, 8218AB, ANW-54993, BBL029976, MFCD03411195, STL253578, AKOS000142907, (4-methanesulfonamidophenyl)acetic acid, 4-(Methanesulfonamido)phenylacetic acid, 4-(Methylsulphonamido)phenylacetic acid, AC-3011, MCULE-4251246667, RP13207, SS-4037, TRA0037107, 4-(Methylsulphonylamino)phenylaceticAcid, AK-78857, AN-13396, SC-27907, SY003553, AB0065821, DB-072113, TR-019750, FT-0681998, ST51039487, {4-[(Methanesulfonyl)amino]phenyl}acetic acid, K-9970, N-[4-(Carboxymethyl)phenyl]methanesulphonamide, 2-{4-[(methylsulfonyl)amino]phenyl}acetic acid, MFCD03411195 (97+%), I04-4266, J-505861, 4-(methanesulfonylamino)phenylacetic acid, AldrichCPR, F1905-8640, 4- PHENYLACETICACID, C9H11NO4S, CID2773887, 110-54-3,

Complexity	312
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	229.041g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	229.25g/mol
Monoisotopic Mass	229.041g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	91.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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