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101952-73-2 | 3-Pyridinecarboxylic acid, 2-(propylthio)ethyl ester
CAS No: 101952-73-2 Catalog No: AG00062O MDL No:
Product Description
Catalog Number:
AG00062O
Chemical Name:
3-Pyridinecarboxylic acid, 2-(propylthio)ethyl ester
CAS Number:
101952-73-2
Molecular Formula:
C11H15NO2S
Molecular Weight:
225.3073
IUPAC Name:
2-propylsulfanylethyl pyridine-3-carboxylate
InChI:
InChI=1S/C11H15NO2S/c1-2-7-15-8-6-14-11(13)10-4-3-5-12-9-10/h3-5,9H,2,6-8H2,1H3
InChI Key:
ONMGOZLNJYTEJK-UHFFFAOYSA-N
SMILES:
CCCSCCOC(=O)c1cccnc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.082g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.306g/mol
Monoisotopic Mass:
225.082g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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