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23821-37-6 | 3-Oxo-3-(pyridin-4-yl)propanenitrile
CAS No: 23821-37-6 Catalog No: AG007N1Q MDL No:MFCD06656807
Product Description
Catalog Number:
AG007N1Q
Chemical Name:
3-Oxo-3-(pyridin-4-yl)propanenitrile
CAS Number:
23821-37-6
Molecular Formula:
C8H6N2O
Molecular Weight:
146.1460
MDL Number:
MFCD06656807
IUPAC Name:
3-oxo-3-pyridin-4-ylpropanenitrile
InChI:
InChI=1S/C8H6N2O/c9-4-1-8(11)7-2-5-10-6-3-7/h2-3,5-6H,1H2
InChI Key:
PPBAZOANEQPCKG-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccncc1
Properties
Complexity:
186
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:
0.2
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