AG003N02

1186663-34-2 | 6-(Methylsulfonyl)nicotinic acid

AG003N02

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CAS Number	1186663-34-2
Catalog Number	AG003N02(AGN-PC-09T3Y5)
Chemical Name	6-(Methylsulfonyl)nicotinic acid
IUPAC Name	6-methylsulfonylpyridine-3-carboxylic acid
InChI	InChI=1S/C7H7NO4S/c1-13(11,12)6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)
InChI Key	VXELRDIIZXYOMH-UHFFFAOYSA-N
MDL Number	MFCD12828704
Molecular Formula	C7H7NO4S
Molecular Weight	201.1998
SMILES	O=C(O)C1=CN=C(S(=O)(C)=O)C=C1
Synonyms	6-(METHYLSULFONYL)NICOTINIC ACID, 1186663-34-2, 6-(Methylsulfonyl)nicotinicAcid, 6-(METHYLSULFONYL)-3-PYRIDINECARBOXYLIC ACID, SCHEMBL1017515, KS-00000CIQ, VXELRDIIZXYOMH-UHFFFAOYSA-N, MFCD12828704, ZINC42684398, AKOS022183565, AS-31911, SY006330, 6-methanesulfonylpyridine-3-carboxylic acid, AJ-104564, DB-014531, TC-307961, FT-0708238, Z7935, 3-Pyridinecarboxylic acid, 6-(methylsulfonyl)-, Z-3982, MFCD12828704 (97+%), C7H7NO4S, 77811-44-0,

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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