Home Nitriles 2-isocyanato-2-methylpropanenitrile

2-isocyanato-2-methylpropanenitrile

CAS No.:
52161-43-0
Catalog Number:
AG01A20Z
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
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Product Description
Catalog Number:
AG01A20Z
Chemical Name:
2-isocyanato-2-methylpropanenitrile
CAS Number:
52161-43-0
Molecular Formula:
C5H6N2O
Molecular Weight:
110.1139
MDL Number:
MFCD22741186
IUPAC Name:
2-isocyanato-2-methylpropanenitrile
InChI:
InChI=1S/C5H6N2O/c1-5(2,3-6)7-4-8/h1-2H3
InChI Key:
UDEDMZWYIOCJKZ-UHFFFAOYSA-N
SMILES:
O=C=NC(C#N)(C)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
110.048g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.116g/mol
Monoisotopic Mass:
110.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties