Home Other Building Blocks 4-isocyanatocyclohex-1-ene

4-isocyanatocyclohex-1-ene

CAS No.:
4103-88-2
Catalog Number:
AG01AKQO
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
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Product Description
Catalog Number:
AG01AKQO
Chemical Name:
4-isocyanatocyclohex-1-ene
CAS Number:
4103-88-2
Molecular Formula:
C7H9NO
Molecular Weight:
123.1525
MDL Number:
MFCD00050490
IUPAC Name:
4-isocyanatocyclohexene
InChI:
InChI=1S/C7H9NO/c9-6-8-7-4-2-1-3-5-7/h1-2,7H,3-5H2
InChI Key:
YHTXKUQEAUWAPA-UHFFFAOYSA-N
SMILES:
O=C=NC1CCC=CC1
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
123.068g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
123.155g/mol
Monoisotopic Mass:
123.068g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties