methyl 6-methanesulfonylpyridine-3-carboxylate

methyl 6-methanesulfonylpyridine-3-carboxylate

Formula: C8H9NO4S

SMILES: COC(=O)C1=CN=C(C=C1)S(C)(=O)=O

IUPAC: methyl 6-methanesulfonylpyridine-3-carboxylate

InChI: InChI=1S/C8H9NO4S/c1-13-8(10)6-3-4-7(9-5-6)14(2,11)12/h3-5H,1-2H3

Composition: C (44.65%), H (4.22%), N (6.51%), O (29.73%), S (14.90%)

Molar Mass: 215.22

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	215.025228948
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	UPJHUFLFEXNRTO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.24
Topological Polar Surface Area	73.33
Polarizability	19.96
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C8H9NO4S		Quote Only