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100618-60-8 | 3-Pyridinecarboxylic acid, heptyl ester
CAS No: 100618-60-8 Catalog No: AG0002HQ MDL No:
Product Description
Catalog Number:
AG0002HQ
Chemical Name:
3-Pyridinecarboxylic acid, heptyl ester
CAS Number:
100618-60-8
Molecular Formula:
C13H19NO2
Molecular Weight:
221.2955
IUPAC Name:
heptyl pyridine-3-carboxylate
InChI:
InChI=1S/C13H19NO2/c1-2-3-4-5-6-10-16-13(15)12-8-7-9-14-11-12/h7-9,11H,2-6,10H2,1H3
InChI Key:
MBYWGKLWYUEAKO-UHFFFAOYSA-N
SMILES:
CCCCCCCOC(=O)c1cccnc1
Properties
Complexity:
194
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.3g/mol
Monoisotopic Mass:
221.142g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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