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51055-31-3 | N-propylpyridine-3-carboxamide
CAS No: 51055-31-3 Catalog No: AG01BV85 MDL No:MFCD00462292
Product Description
Catalog Number:
AG01BV85
Chemical Name:
N-propylpyridine-3-carboxamide
CAS Number:
51055-31-3
Molecular Formula:
C9H12N2O
Molecular Weight:
164.2044
MDL Number:
MFCD00462292
IUPAC Name:
N-propylpyridine-3-carboxamide
InChI:
InChI=1S/C9H12N2O/c1-2-5-11-9(12)8-4-3-6-10-7-8/h3-4,6-7H,2,5H2,1H3,(H,11,12)
InChI Key:
YIEIQMFWAGTFCB-UHFFFAOYSA-N
SMILES:
CCCNC(=O)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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.208g/mol
Monoisotopic Mass:
164.095g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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