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Home > Pyridines > 1156898-12-2
1156898-12-2 | 2-(pyridine-4-carbonyl)butanenitrile
CAS No: 1156898-12-2 Catalog No: AG019XUI MDL No:MFCD12115811
Product Description
Catalog Number:
AG019XUI
Chemical Name:
2-(pyridine-4-carbonyl)butanenitrile
CAS Number:
1156898-12-2
Molecular Formula:
C10H10N2O
Molecular Weight:
174.1992
MDL Number:
MFCD12115811
IUPAC Name:
2-(pyridine-4-carbonyl)butanenitrile
InChI:
InChI=1S/C10H10N2O/c1-2-8(7-11)10(13)9-3-5-12-6-4-9/h3-6,8H,2H2,1H3
InChI Key:
YTDHPUWHBPPIML-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccncc1)C#N
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.079g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.203g/mol
Monoisotopic Mass:
174.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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