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101952-61-8 | 3-Pyridinecarboxylic acid, 2-(hexadecylthio)ethyl ester
CAS No: 101952-61-8 Catalog No: AG00061R MDL No:
Product Description
Catalog Number:
AG00061R
Chemical Name:
3-Pyridinecarboxylic acid, 2-(hexadecylthio)ethyl ester
CAS Number:
101952-61-8
Molecular Formula:
C24H41NO2S
Molecular Weight:
407.6528
IUPAC Name:
2-hexadecylsulfanylethyl pyridine-3-carboxylate
InChI:
InChI=1S/C24H41NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-28-21-19-27-24(26)23-17-16-18-25-22-23/h16-18,22H,2-15,19-21H2,1H3
InChI Key:
NZPVJPZUSNFEJH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCSCCOC(=O)c1cccnc1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.286g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.657g/mol
Monoisotopic Mass:
407.286g/mol
Rotatable Bond Count:
20
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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