Octane, 1-isocyanato-


Chemical Name: Octane, 1-isocyanato-
CAS Number: 3158-26-7
Product Number: AG003EL0(AGN-PC-0JLQ5E)
Synonyms:
MDL No:
Molecular Formula: C9H17NO
Molecular Weight: 155.2374

Identification/Properties


Properties
BP:
200-204 °C(lit.)
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.432(lit.)
Computed Properties
Molecular Weight:
155.241g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
7
Exact Mass:
155.131g/mol
Monoisotopic Mass:
155.131g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
117
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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