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101952-69-6 | 3-Pyridinecarboxylic acid, 2-(pentylthio)ethyl ester
CAS No: 101952-69-6 Catalog No: AG00062Q MDL No:
Product Description
Catalog Number:
AG00062Q
Chemical Name:
3-Pyridinecarboxylic acid, 2-(pentylthio)ethyl ester
CAS Number:
101952-69-6
Molecular Formula:
C13H19NO2S
Molecular Weight:
253.3605
IUPAC Name:
2-pentylsulfanylethyl pyridine-3-carboxylate
InChI:
InChI=1S/C13H19NO2S/c1-2-3-4-9-17-10-8-16-13(15)12-6-5-7-14-11-12/h5-7,11H,2-4,8-10H2,1H3
InChI Key:
PFLAIDJOORTPCT-UHFFFAOYSA-N
SMILES:
CCCCCSCCOC(=O)c1cccnc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.114g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.36g/mol
Monoisotopic Mass:
253.114g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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