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59718-85-3 | 3-(3-METHYLPYRIDIN-2-YL)-3-OXOPROPANENITRILE
CAS No: 59718-85-3 Catalog No: AG00ECW9 MDL No:
Product Description
Catalog Number:
AG00ECW9
Chemical Name:
3-(3-METHYLPYRIDIN-2-YL)-3-OXOPROPANENITRILE
CAS Number:
59718-85-3
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
IUPAC Name:
3-(3-methylpyridin-2-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H8N2O/c1-7-3-2-6-11-9(7)8(12)4-5-10/h2-3,6H,4H2,1H3
InChI Key:
WFPWYSFNRMIWAJ-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ncccc1C
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:
1.1
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