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126769-98-0 | 3-oxo-2-(pyridin-4-yl)butanenitrile
CAS No: 126769-98-0 Catalog No: AG01DYMT MDL No:MFCD22962603
Product Description
Catalog Number:
AG01DYMT
Chemical Name:
3-oxo-2-(pyridin-4-yl)butanenitrile
CAS Number:
126769-98-0
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD22962603
IUPAC Name:
3-oxo-2-pyridin-4-ylbutanenitrile
InChI:
InChI=1S/C9H8N2O/c1-7(12)9(6-10)8-2-4-11-5-3-8/h2-5,9H,1H3
InChI Key:
PSTSWVHFTIEIAB-UHFFFAOYSA-N
SMILES:
N#CC(c1ccncc1)C(=O)C
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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