Home Nitriles 4-oxooxane-3-carbonitrile

4-oxooxane-3-carbonitrile

CAS No.:
1368346-22-8
Catalog Number:
AG019U4F
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
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Product Description
Catalog Number:
AG019U4F
Chemical Name:
4-oxooxane-3-carbonitrile
CAS Number:
1368346-22-8
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD22071530
IUPAC Name:
4-oxooxane-3-carbonitrile
InChI:
InChI=1S/C6H7NO2/c7-3-5-4-9-2-1-6(5)8/h5H,1-2,4H2
InChI Key:
QFDMETKURRPUKW-UHFFFAOYSA-N
SMILES:
C1OCCC(=O)C1C#N
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.127g/mol
Monoisotopic Mass:
125.048g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5  
Properties