AG003F33

1186663-27-3 | 2-(Methylsulfonyl)-4-pyridinecarboxylic Acid

AG003F33

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CAS Number	1186663-27-3
Catalog Number	AG003F33(AGN-PC-09T3WY)
Chemical Name	2-(Methylsulfonyl)-4-pyridinecarboxylic Acid
IUPAC Name	2-methylsulfonylpyridine-4-carboxylic acid
InChI	InChI=1S/C7H7NO4S/c1-13(11,12)6-4-5(7(9)10)2-3-8-6/h2-4H,1H3,(H,9,10)
InChI Key	SSTWSIYWXZCTEW-UHFFFAOYSA-N
MDL Number	MFCD12828707
Molecular Formula	C7H7NO4S
Molecular Weight	201.1998
SMILES	O=C(O)C1=CC=NC(S(=O)(C)=O)=C1
Synonyms	1186663-27-3, 2-(METHYLSULFONYL)-4-PYRIDINECARBOXYLIC ACID, 2-(methylsulfonyl)isonicotinic acid, 2-methylsulfonylpyridine-4-carboxylic acid, 2-methanesulfonylpyridine-4-carboxylic acid, SCHEMBL11197523, CTK8E1704, DTXSID70700181, 5298AJ, MFCD12828707, ZINC42684404, AKOS022183588, SB21529, TRA0013996, AS-55081, SY006343, AJ-104567, TC-306881, FT-0767120, 2-(Methanesulfonyl)pyridine-4-carboxylic acid, MFCD12828707 (97+%), 2-(Methylsulfony)pyridine-4-carboxylic acid, AldrichCPR, C7H7NO4S, 2-(Methylsulfonyl)-4-pyridinecarboxylicAcid, 1007802-68-7,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.01g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.196g/mol
Monoisotopic Mass	201.01g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	92.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.1

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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