Home Nitriles 3-[(methoxycarbonyl)oxy]-2-methylidenebutanenitrile

3-[(methoxycarbonyl)oxy]-2-methylidenebutanenitrile

CAS No.:
474418-69-4
Catalog Number:
AG01BAQ6
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
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Product Description
Catalog Number:
AG01BAQ6
Chemical Name:
3-[(methoxycarbonyl)oxy]-2-methylidenebutanenitrile
CAS Number:
474418-69-4
Molecular Formula:
C7H9NO3
Molecular Weight:
155.1513
MDL Number:
MFCD28397720
IUPAC Name:
3-cyanobut-3-en-2-yl methyl carbonate
InChI:
InChI=1S/C7H9NO3/c1-5(4-8)6(2)11-7(9)10-3/h6H,1H2,2-3H3
InChI Key:
UFIUXQFAGXJEBJ-UHFFFAOYSA-N
SMILES:
COC(=O)OC(C(=C)C#N)C
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
155.058g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
155.153g/mol
Monoisotopic Mass:
155.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties