Home Carboxys tert-Butyl 3-(nitromethylene)-azetidine-1-carboxylate

tert-Butyl 3-(nitromethylene)-azetidine-1-carboxylate

CAS No.:
1379812-12-0
Catalog Number:
AG00HV76
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
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Product Description
Catalog Number:
AG00HV76
Chemical Name:
tert-Butyl 3-(nitromethylene)-azetidine-1-carboxylate
CAS Number:
1379812-12-0
Molecular Formula:
C9H14N2O4
Molecular Weight:
214.2185
MDL Number:
MFCD20486581
IUPAC Name:
tert-butyl 3-(nitromethylidene)azetidine-1-carboxylate
InChI:
InChI=1S/C9H14N2O4/c1-9(2,3)15-8(12)10-4-7(5-10)6-11(13)14/h6H,4-5H2,1-3H3
InChI Key:
FAUILBAEDWZEMG-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=C[N+](=O)[O-])C1)OC(C)(C)C
Properties
Complexity:
303  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.221g/mol
Monoisotopic Mass:
214.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties