Home Nitriles 2-{[(methoxycarbonyl)oxy]methyl}prop-2-enenitrile

2-{[(methoxycarbonyl)oxy]methyl}prop-2-enenitrile

CAS No.:
1803570-03-7
Catalog Number:
AG01BB1Y
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
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Product Description
Catalog Number:
AG01BB1Y
Chemical Name:
2-{[(methoxycarbonyl)oxy]methyl}prop-2-enenitrile
CAS Number:
1803570-03-7
Molecular Formula:
C6H7NO3
Molecular Weight:
141.1247
MDL Number:
MFCD28505848
IUPAC Name:
2-cyanoprop-2-enyl methyl carbonate
InChI:
InChI=1S/C6H7NO3/c1-5(3-7)4-10-6(8)9-2/h1,4H2,2H3
InChI Key:
WHPZIUAQADAOGN-UHFFFAOYSA-N
SMILES:
COC(=O)OCC(=C)C#N
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.043g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.126g/mol
Monoisotopic Mass:
141.043g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties