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4747-68-6 | Cycloheptyl isocyanate
CAS No: 4747-68-6 Catalog No: AG003P4E MDL No:MFCD03701629
Product Description
Catalog Number:
AG003P4E
Chemical Name:
Cycloheptyl isocyanate
CAS Number:
4747-68-6
Molecular Formula:
C8H13NO
Molecular Weight:
139.1949
MDL Number:
MFCD03701629
IUPAC Name:
isocyanatocycloheptane
InChI:
InChI=1S/C8H13NO/c10-7-9-8-5-3-1-2-4-6-8/h8H,1-6H2
InChI Key:
JCNLHDHXQVZQAM-UHFFFAOYSA-N
SMILES:
O=C=NC1CCCCCC1
Properties
Complexity:
130
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:
1
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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