Home Nitriles 5-Acetylfuran-2-carbonitrile

5-Acetylfuran-2-carbonitrile

CAS No.:
133674-71-2
Catalog Number:
AG0080BK
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
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Product Description
Catalog Number:
AG0080BK
Chemical Name:
5-Acetylfuran-2-carbonitrile
CAS Number:
133674-71-2
Molecular Formula:
C7H5NO2
Molecular Weight:
135.1201
MDL Number:
MFCD18813959
IUPAC Name:
5-acetylfuran-2-carbonitrile
InChI:
InChI=1S/C7H5NO2/c1-5(9)7-3-2-6(4-8)10-7/h2-3H,1H3
InChI Key:
QLVSENJSZBDVEW-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(o1)C(=O)C
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.032g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.122g/mol
Monoisotopic Mass:
135.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties