AG003RWS

1186663-66-0 | Methyl 5-(methylsulfonyl)nicotinate

AG003RWS

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CAS Number	1186663-66-0
Catalog Number	AG003RWS(AGN-PC-04366B)
Chemical Name	Methyl 5-(methylsulfonyl)nicotinate
IUPAC Name	methyl 5-methylsulfonylpyridine-3-carboxylate
InChI	InChI=1S/C8H9NO4S/c1-13-8(10)6-3-7(5-9-4-6)14(2,11)12/h3-5H,1-2H3
InChI Key	KZKQGUVWZYKJBN-UHFFFAOYSA-N
MDL Number	MFCD12828715
Molecular Formula	C8H9NO4S
Molecular Weight	215.2264
SMILES	COC(=O)C1=CN=CC(=C1)S(C)(=O)=O
Synonyms	METHYL 5-(METHYLSULFONYL)NICOTINATE, 1186663-66-0, Methyl5-(Methylsulfonyl)nicotinate, 5-(METHYLSULFONYL)-3-PYRIDINECARBOXYLIC ACID METHYL ESTER, SCHEMBL5700071, KS-00000BFX, KZKQGUVWZYKJBN-UHFFFAOYSA-N, 7103AJ, MFCD12828715, ZINC42684415, AKOS022183482, FCH1377237, TRA0024420, AS-31912, SC-66305, SY006353, AJ-104574, DB-014563, TC-308569, CS-0081095, FT-0708187, methyl 5-methylsulfonylpyridine-3-carboxylate, Z-3986, MFCD12828715 (97+%), C8H9NO4S, 285-67-6,

Complexity	306
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.025g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	215.223g/mol
Monoisotopic Mass	215.025g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	81.7A^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
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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