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101952-58-3 | 3-Pyridinecarboxylic acid, 2-(cyclohexylthio)ethyl ester
CAS No: 101952-58-3 Catalog No: AG00061T MDL No:
Product Description
Catalog Number:
AG00061T
Chemical Name:
3-Pyridinecarboxylic acid, 2-(cyclohexylthio)ethyl ester
CAS Number:
101952-58-3
Molecular Formula:
C14H19NO2S
Molecular Weight:
265.3712
IUPAC Name:
2-cyclohexylsulfanylethyl pyridine-3-carboxylate
InChI:
InChI=1S/C14H19NO2S/c16-14(12-5-4-8-15-11-12)17-9-10-18-13-6-2-1-3-7-13/h4-5,8,11,13H,1-3,6-7,9-10H2
InChI Key:
ICNZVXHRYKCXET-UHFFFAOYSA-N
SMILES:
O=C(c1cccnc1)OCCSC1CCCCC1
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.371g/mol
Monoisotopic Mass:
265.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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