Home Nitriles 3-Furancarbonitrile, 2,5-dimethyl-

3-Furancarbonitrile, 2,5-dimethyl-

CAS No.:
89149-69-9
Catalog Number:
AG003XHN
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
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Product Description
Catalog Number:
AG003XHN
Chemical Name:
3-Furancarbonitrile, 2,5-dimethyl-
CAS Number:
89149-69-9
Molecular Formula:
C7H7NO
Molecular Weight:
121.1366
MDL Number:
MFCD12405644
IUPAC Name:
2,5-dimethylfuran-3-carbonitrile
InChI:
InChI=1S/C7H7NO/c1-5-3-7(4-8)6(2)9-5/h3H,1-2H3
InChI Key:
HNZSIJYEHRTXHF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(oc1C)C
Properties
Complexity:
146  
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:
0
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties