Home Other Building Blocks 1-isocyanato-2-methylprop-1-ene

1-isocyanato-2-methylprop-1-ene

CAS No.:
28705-49-9
Catalog Number:
AG01AGA0
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
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Product Description
Catalog Number:
AG01AGA0
Chemical Name:
1-isocyanato-2-methylprop-1-ene
CAS Number:
28705-49-9
Molecular Formula:
C5H7NO
Molecular Weight:
97.1152
MDL Number:
MFCD24450481
IUPAC Name:
1-isocyanato-2-methylprop-1-ene
InChI:
InChI=1S/C5H7NO/c1-5(2)3-6-4-7/h3H,1-2H3
InChI Key:
QLUPVIHDWXIQBU-UHFFFAOYSA-N
SMILES:
O=C=NC=C(C)C
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
97.053g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
97.117g/mol
Monoisotopic Mass:
97.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties