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23580-77-0 | 3-Pyridinecarbonitrile, 4-(2-oxopropyl)-
CAS No: 23580-77-0 Catalog No: AG002NQS MDL No:
Product Description
Catalog Number:
AG002NQS
Chemical Name:
3-Pyridinecarbonitrile, 4-(2-oxopropyl)-
CAS Number:
23580-77-0
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
4-(2-oxopropyl)pyridine-3-carbonitrile
InChI:
InChI=1S/C9H8N2O/c1-7(12)4-8-2-3-11-6-9(8)5-10/h2-3,6H,4H2,1H3
InChI Key:
AAVSZDJOPRPCDN-UHFFFAOYSA-N
SMILES:
N#Cc1cnccc1CC(=O)C
Properties
Complexity:
216
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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