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143966-29-4 | 3-Pyridinecarboximidic acid, propyl ester
CAS No: 143966-29-4 Catalog No: AG001IOL MDL No:
Product Description
Catalog Number:
AG001IOL
Chemical Name:
3-Pyridinecarboximidic acid, propyl ester
CAS Number:
143966-29-4
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
propyl pyridine-3-carboximidate
InChI:
InChI=1S/C9H12N2O/c1-2-6-12-9(10)8-4-3-5-11-7-8/h3-5,7,10H,2,6H2,1H3
InChI Key:
JJJRVXVHMCAYLB-UHFFFAOYSA-N
SMILES:
CCCOC(=N)c1cccnc1
Properties
Complexity:
148
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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