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30510-18-0 | 3-Pyridinepropanenitrile, β-oxo-
CAS No: 30510-18-0 Catalog No: AG0030F0 MDL No:MFCD08282797
Product Description
Catalog Number:
AG0030F0
Chemical Name:
3-Pyridinepropanenitrile, β-oxo-
CAS Number:
30510-18-0
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD08282797
IUPAC Name:
3-oxo-3-pyridin-3-ylpropanenitrile
InChI:
InChI=1S/C8H6N2O/c9-4-3-8(11)7-2-1-5-10-6-7/h1-2,5-6H,3H2
InChI Key:
MDNYQXMCDAKSIW-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cccnc1
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.048g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.149g/mol
Monoisotopic Mass:
146.048g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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