AG003G8N

1047724-24-2 | 2-(2-(Methylsulfonamido)phenyl)acetic acid

AG003G8N

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CAS Number	1047724-24-2
Catalog Number	AG003G8N(AGN-PC-0377NQ)
Chemical Name	2-(2-(Methylsulfonamido)phenyl)acetic acid
IUPAC Name	2-[2-(methanesulfonamido)phenyl]acetic acid
InChI	InChI=1S/C9H11NO4S/c1-15(13,14)10-8-5-3-2-4-7(8)6-9(11)12/h2-5,10H,6H2,1H3,(H,11,12)
InChI Key	XFQVSOVZZYQXDH-UHFFFAOYSA-N
MDL Number	MFCD11052342
Molecular Formula	C9H11NO4S
Molecular Weight	229.2529
SMILES	CS(NC1=C(CC(O)=O)C=CC=C1)(=O)=O
Synonyms	1047724-24-2, 2-(2-(METHYLSULFONAMIDO)PHENYL)ACETIC ACID, 2-[2-(Methylsulfonamido)phenyl]acetic Acid, 2-(2-methanesulfonamidophenyl)acetic acid, Benzeneacetic acid, 2-[(methylsulfonyl)amino]-, PubChem22891, 2-[(Methylsulfonyl)amino]benzeneacetic acid, SCHEMBL7888388, CTK8E1713, DTXSID10611146, KS-00000CE4, 5167AJ, MFCD11052342, ZINC42684217, AKOS008152524, MCULE-8349109098, TRA0169482, AS-31502, SY003555, 2-(2-Methylsulfonamido)phenyl)acetic acid, 2-[2-(Methylsulfonamido)phenyl]aceticAcid, AB0065865, AJ-104462, TC-306940, FT-0690152, {2-[(Methanesulfonyl)amino]phenyl}acetic acid, {2-[(Methylsulfonyl)amino]phenyl}acetic acid, EN300-74508, K-0431, MFCD11052342 (97+%), I01-9967, Z1259335834, C9H11NO4S, 55410-21-4, 109-88-6,

Complexity	320
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	0.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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