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101952-62-9 | 3-Pyridinecarboxylic acid, 2-(hexylthio)ethyl ester
CAS No: 101952-62-9 Catalog No: AG00062V MDL No:
Product Description
Catalog Number:
AG00062V
Chemical Name:
3-Pyridinecarboxylic acid, 2-(hexylthio)ethyl ester
CAS Number:
101952-62-9
Molecular Formula:
C14H21NO2S
Molecular Weight:
267.3870
IUPAC Name:
2-hexylsulfanylethyl pyridine-3-carboxylate
InChI:
InChI=1S/C14H21NO2S/c1-2-3-4-5-10-18-11-9-17-14(16)13-7-6-8-15-12-13/h6-8,12H,2-5,9-11H2,1H3
InChI Key:
VLJAYAMTEKTAMW-UHFFFAOYSA-N
SMILES:
CCCCCCSCCOC(=O)c1cccnc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.129g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.387g/mol
Monoisotopic Mass:
267.129g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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