Home Nitriles 3-Furanpropanenitrile,2,5-dimethyl-b-oxo-

3-Furanpropanenitrile,2,5-dimethyl-b-oxo-

CAS No.:
175276-62-7
Catalog Number:
AG0077NB
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0077NB
Chemical Name:
3-Furanpropanenitrile,2,5-dimethyl-b-oxo-
CAS Number:
175276-62-7
Molecular Formula:
C9H9NO2
Molecular Weight:
163.1733
MDL Number:
MFCD00275552
IUPAC Name:
3-(2,5-dimethylfuran-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H9NO2/c1-6-5-8(7(2)12-6)9(11)3-4-10/h5H,3H2,1-2H3
InChI Key:
BTGHXCBKXUBEIA-UHFFFAOYSA-N
SMILES:
Cc1oc(cc1C(=O)CC#N)C
Properties
Complexity:
228  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.063g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
163.176g/mol
Monoisotopic Mass:
163.063g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties