Home Carboxys ethyl 1-isocyanatocyclobutane-1-carboxylate

ethyl 1-isocyanatocyclobutane-1-carboxylate

CAS No.:
106366-62-5
Catalog Number:
AG01A41E
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A41E
Chemical Name:
ethyl 1-isocyanatocyclobutane-1-carboxylate
CAS Number:
106366-62-5
Molecular Formula:
C8H11NO3
Molecular Weight:
169.1778
MDL Number:
MFCD23144192
IUPAC Name:
ethyl 1-isocyanatocyclobutane-1-carboxylate
InChI:
InChI=1S/C8H11NO3/c1-2-12-7(11)8(9-6-10)4-3-5-8/h2-5H2,1H3
InChI Key:
WBEFTWIDTCMAOP-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1(CCC1)N=C=O
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.074g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.18g/mol
Monoisotopic Mass:
169.074g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties