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51163-24-7 | Cyclohexanemethyl isocyanate
CAS No: 51163-24-7 Catalog No: AG003P4P MDL No:MFCD03701631
Product Description
Catalog Number:
AG003P4P
Chemical Name:
Cyclohexanemethyl isocyanate
CAS Number:
51163-24-7
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD03701631
IUPAC Name:
isocyanatomethylcyclohexane
InChI:
InChI=1S/C8H13NO/c10-7-9-6-8-4-2-1-3-5-8/h8H,1-6H2
InChI Key:
DUDXQIXWPJMPRQ-UHFFFAOYSA-N
SMILES:
O=C=NCC1CCCCC1
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.1g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.198g/mol
Monoisotopic Mass:
139.1g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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