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218921-20-1 | 4-(2-oxo-1,2-dihydropyridin-1-yl)butanenitrile
CAS No: 218921-20-1 Catalog No: AG01A7KQ MDL No:MFCD09947046
Product Description
Catalog Number:
AG01A7KQ
Chemical Name:
4-(2-oxo-1,2-dihydropyridin-1-yl)butanenitrile
CAS Number:
218921-20-1
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD09947046
IUPAC Name:
4-(2-oxopyridin-1-yl)butanenitrile
InChI:
InChI=1S/C9H10N2O/c10-6-2-4-8-11-7-3-1-5-9(11)12/h1,3,5,7H,2,4,8H2
InChI Key:
YATGMSOWZLACSX-UHFFFAOYSA-N
SMILES:
N#CCCCn1ccccc1=O
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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