Home Nitriles 5-(1,3-dioxolan-2-yl)furan-2-carbonitrile

5-(1,3-dioxolan-2-yl)furan-2-carbonitrile

CAS No.:
1384428-74-3
Catalog Number:
AG019SN6
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
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Product Description
Catalog Number:
AG019SN6
Chemical Name:
5-(1,3-dioxolan-2-yl)furan-2-carbonitrile
CAS Number:
1384428-74-3
Molecular Formula:
C8H7NO3
Molecular Weight:
165.1461
MDL Number:
MFCD22196679
IUPAC Name:
5-(1,3-dioxolan-2-yl)furan-2-carbonitrile
InChI:
InChI=1S/C8H7NO3/c9-5-6-1-2-7(12-6)8-10-3-4-11-8/h1-2,8H,3-4H2
InChI Key:
IMSNMXJHEJEDGJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(o1)C1OCCO1
Properties
Complexity:
204  
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:
1  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties