AG003M7S

1186663-48-8 | 5-(METHYLSULFONYL)-2-PYRIDINECARBOXYLIC ACID

AG003M7S

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CAS Number	1186663-48-8
Catalog Number	AG003M7S(AGN-PC-09T3Y2)
Chemical Name	5-(METHYLSULFONYL)-2-PYRIDINECARBOXYLIC ACID
IUPAC Name	5-methylsulfonylpyridine-2-carboxylic acid
InChI	InChI=1S/C7H7NO4S/c1-13(11,12)5-2-3-6(7(9)10)8-4-5/h2-4H,1H3,(H,9,10)
InChI Key	UYAWBLWKUAJDRG-UHFFFAOYSA-N
MDL Number	MFCD12828706
Molecular Formula	C7H7NO4S
Molecular Weight	201.1998
SMILES	O=C(O)C1=NC=C(S(=O)(C)=O)C=C1
Synonyms	1186663-48-8, 5-(methylsulfonyl)picolinic acid, 5-(METHYLSULFONYL)-2-PYRIDINECARBOXYLIC ACID, AK-82595, 5-(Methylsulfonyl)-2-pyridinecarboxylicAcid, SCHEMBL4326059, KS-00000CIR, MFCD12828706, ZINC42684402, AKOS022183576, FCH1377231, TRA0127898, DS-16899, SY006342, AB0065468, AJ-104566, AX8173819, DB-038004, TC-307808, 5-(methylsulfonyl)pyridine-2-carboxylic acid, CS-0042957, FT-0761048, Z7936, K-1318, MFCD12828706 (97+%), C7H7NO4S, ACN-040561, 18595-14-7,

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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