Home Nitriles 2-(5-methylfuran-2-yl)propanenitrile

2-(5-methylfuran-2-yl)propanenitrile

CAS No.:
1096790-35-0
Catalog Number:
AG01EJOG
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
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Product Description
Catalog Number:
AG01EJOG
Chemical Name:
2-(5-methylfuran-2-yl)propanenitrile
CAS Number:
1096790-35-0
Molecular Formula:
C8H9NO
Molecular Weight:
135.1632
MDL Number:
MFCD11641453
IUPAC Name:
2-(5-methylfuran-2-yl)propanenitrile
InChI:
InChI=1S/C8H9NO/c1-6(5-9)8-4-3-7(2)10-8/h3-4,6H,1-2H3
InChI Key:
PBBKZTVYEUAFJX-UHFFFAOYSA-N
SMILES:
CC(c1ccc(o1)C)C#N
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.068g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.166g/mol
Monoisotopic Mass:
135.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties