Home Other Building Blocks 4-(isocyanatomethyl)cyclohex-1-ene

4-(isocyanatomethyl)cyclohex-1-ene

CAS No.:
74572-48-8
Catalog Number:
AG01A1E8
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
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Product Description
Catalog Number:
AG01A1E8
Chemical Name:
4-(isocyanatomethyl)cyclohex-1-ene
CAS Number:
74572-48-8
Molecular Formula:
C8H11NO
Molecular Weight:
137.1790
MDL Number:
MFCD18269790
IUPAC Name:
4-(isocyanatomethyl)cyclohexene
InChI:
InChI=1S/C8H11NO/c10-7-9-6-8-4-2-1-3-5-8/h1-2,8H,3-6H2
InChI Key:
YXECUWXYZZZJNN-UHFFFAOYSA-N
SMILES:
O=C=NCC1CCC=CC1
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.084g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
137.182g/mol
Monoisotopic Mass:
137.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties