Home Carbonyls 2,2-dimethylpropanecarbonyl isocyanate

2,2-dimethylpropanecarbonyl isocyanate

CAS No.:
4461-20-5
Catalog Number:
AG01A80W
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
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Product Description
Catalog Number:
AG01A80W
Chemical Name:
2,2-dimethylpropanecarbonyl isocyanate
CAS Number:
4461-20-5
Molecular Formula:
C6H9NO2
Molecular Weight:
127.1412
MDL Number:
MFCD09814214
IUPAC Name:
2,2-dimethylpropanoyl isocyanate
InChI:
InChI=1S/C6H9NO2/c1-6(2,3)5(9)7-4-8/h1-3H3
InChI Key:
SVYVGSZXUSLKOI-UHFFFAOYSA-N
SMILES:
O=C=NC(=O)C(C)(C)C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.063g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.143g/mol
Monoisotopic Mass:
127.063g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties