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101952-67-4 | 3-Pyridinecarboxylic acid, 2-(methylthio)ethyl ester
CAS No: 101952-67-4 Catalog No: AG00062R MDL No:
Product Description
Catalog Number:
AG00062R
Chemical Name:
3-Pyridinecarboxylic acid, 2-(methylthio)ethyl ester
CAS Number:
101952-67-4
Molecular Formula:
C9H11NO2S
Molecular Weight:
197.2541
IUPAC Name:
2-methylsulfanylethyl pyridine-3-carboxylate
InChI:
InChI=1S/C9H11NO2S/c1-13-6-5-12-9(11)8-3-2-4-10-7-8/h2-4,7H,5-6H2,1H3
InChI Key:
RBIKYSUIHYRVQL-UHFFFAOYSA-N
SMILES:
CSCCOC(=O)c1cccnc1
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.252g/mol
Monoisotopic Mass:
197.051g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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