Cycloheptane, isocyanato-


Chemical Name: Cycloheptane, isocyanato-
CAS Number: 4747-68-6
Product Number: AG003P4E(AGN-PC-0KT062)
Synonyms:
MDL No:
Molecular Formula: C8H13NO
Molecular Weight: 139.1949

Identification/Properties


Computed Properties
Molecular Weight:
139.198g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
139.1g/mol
Monoisotopic Mass:
139.1g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
130
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

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NMR Spectrum


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