Home Nitriles 3-(furan-2-yl)propanenitrile

3-(furan-2-yl)propanenitrile

CAS No.:
21446-61-7
Catalog Number:
AG019TXB
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
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Product Description
Catalog Number:
AG019TXB
Chemical Name:
3-(furan-2-yl)propanenitrile
CAS Number:
21446-61-7
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD09868288
IUPAC Name:
3-(furan-2-yl)propanenitrile
InChI:
InChI=1S/C7H7NO/c8-5-1-3-7-4-2-6-9-7/h2,4,6H,1,3H2
InChI Key:
VHTUKWXCIFHXKN-UHFFFAOYSA-N
SMILES:
N#CCCc1ccco1
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
121.053g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
121.139g/mol
Monoisotopic Mass:
121.053g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties