Home Nitriles 3-Butenenitrile, 2-(acetyloxy)-

3-Butenenitrile, 2-(acetyloxy)-

CAS No.:
15667-63-7
Catalog Number:
AG001OWR
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97.0%(GC)
1 week
United States
$205
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Product Description
Catalog Number:
AG001OWR
Chemical Name:
3-Butenenitrile, 2-(acetyloxy)-
CAS Number:
15667-63-7
Molecular Formula:
C6H7NO2
Molecular Weight:
125.1253
MDL Number:
MFCD00010336
IUPAC Name:
1-cyanoprop-2-enyl acetate
InChI:
InChI=1S/C6H7NO2/c1-3-6(4-7)9-5(2)8/h3,6H,1H2,2H3
InChI Key:
MEHLEOUIWVWVBF-UHFFFAOYSA-N
SMILES:
CC(=O)OC(C#N)C=C
EC Number:
239-743-2
NSC Number:
46585
Properties
Complexity:
165  
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:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
The effect of chlorination on organocyanide compounds. Water environment research : a research publication of the Water Environment Federation 20020101
Properties