Home Nitriles 2-Furancarbonitrile, 5-[(acetyloxy)methyl]-

2-Furancarbonitrile, 5-[(acetyloxy)methyl]-

CAS No.:
89149-68-8
Catalog Number:
AG003WT7
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
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Product Description
Catalog Number:
AG003WT7
Chemical Name:
2-Furancarbonitrile, 5-[(acetyloxy)methyl]-
CAS Number:
89149-68-8
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD15144061
IUPAC Name:
(5-cyanofuran-2-yl)methyl acetate
InChI:
InChI=1S/C8H7NO3/c1-6(10)11-5-8-3-2-7(4-9)12-8/h2-3H,5H2,1H3
InChI Key:
BMEYPXWEHRGQTG-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1ccc(o1)C#N
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.148g/mol
Monoisotopic Mass:
165.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties