Home Nitriles Cyclopropanecarbonitrile, 1-(acetyloxy)-

Cyclopropanecarbonitrile, 1-(acetyloxy)-

CAS No.:
87656-22-2
Catalog Number:
AG004KVW
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
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Product Description
Catalog Number:
AG004KVW
Chemical Name:
Cyclopropanecarbonitrile, 1-(acetyloxy)-
CAS Number:
87656-22-2
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD29762575
IUPAC Name:
(1-cyanocyclopropyl) acetate
InChI:
InChI=1S/C6H7NO2/c1-5(8)9-6(4-7)2-3-6/h2-3H2,1H3
InChI Key:
VCKOIZBSGDSALQ-UHFFFAOYSA-N
SMILES:
N#CC1(CC1)OC(=O)C
Properties
Complexity:
185  
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:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties