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

2-(furan-2-yl)propanenitrile

CAS No.:
24954-01-6
Catalog Number:
AG01B67W
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
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Product Description
Catalog Number:
AG01B67W
Chemical Name:
2-(furan-2-yl)propanenitrile
CAS Number:
24954-01-6
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD11641455
IUPAC Name:
2-(furan-2-yl)propanenitrile
InChI:
InChI=1S/C7H7NO/c1-6(5-8)7-3-2-4-9-7/h2-4,6H,1H3
InChI Key:
AHAHKPCUHSTCDD-UHFFFAOYSA-N
SMILES:
N#CC(c1ccco1)C
Properties
Complexity:
135  
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:
1  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties