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15582-85-1 | 2-Pyridinebutanamide
CAS No: 15582-85-1 Catalog No: AG001O96 MDL No:
Product Description
Catalog Number:
AG001O96
Chemical Name:
2-Pyridinebutanamide
CAS Number:
15582-85-1
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
IUPAC Name:
4-pyridin-2-ylbutanamide
InChI:
InChI=1S/C9H12N2O/c10-9(12)6-3-5-8-4-1-2-7-11-8/h1-2,4,7H,3,5-6H2,(H2,10,12)
InChI Key:
HPAOAHHQXCYRRK-UHFFFAOYSA-N
SMILES:
NC(=O)CCCc1ccccn1
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:
2
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:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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