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68634-53-7 | 3-(4-oxopyridin-1(4H)-yl)propanenitrile
CAS No: 68634-53-7 Catalog No: AG00JHKZ MDL No:MFCD00956200
Product Description
Catalog Number:
AG00JHKZ
Chemical Name:
3-(4-oxopyridin-1(4H)-yl)propanenitrile
CAS Number:
68634-53-7
Molecular Formula:
C8H8N2O
Molecular Weight:
148.1619
MDL Number:
MFCD00956200
IUPAC Name:
3-(4-oxopyridin-1-yl)propanenitrile
InChI:
InChI=1S/C8H8N2O/c9-4-1-5-10-6-2-8(11)3-7-10/h2-3,6-7H,1,5H2
InChI Key:
IRPPSEGQSVCBNT-UHFFFAOYSA-N
SMILES:
N#CCCn1ccc(=O)cc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.064g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.165g/mol
Monoisotopic Mass:
148.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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