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27678-09-7 | 3-Pyridinebutanenitrile
CAS No: 27678-09-7 Catalog No: AG002UF5 MDL No:
Product Description
Catalog Number:
AG002UF5
Chemical Name:
3-Pyridinebutanenitrile
CAS Number:
27678-09-7
Molecular Formula:
C9H10N2
Molecular Weight:
146.1891
IUPAC Name:
4-pyridin-3-ylbutanenitrile
InChI:
InChI=1S/C9H10N2/c10-6-2-1-4-9-5-3-7-11-8-9/h3,5,7-8H,1-2,4H2
InChI Key:
KPISTRILDWVIKF-UHFFFAOYSA-N
SMILES:
N#CCCCc1cccnc1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.084g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.193g/mol
Monoisotopic Mass:
146.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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