Home Carboxys tert-butyl 5-(iodomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate

tert-butyl 5-(iodomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate

CAS No.:
2138227-36-6
Catalog Number:
AG01ELVR
Molecular Formula:
C12H18INO4
Molecular Weight:
367.1801
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Product Description
Catalog Number:
AG01ELVR
Chemical Name:
tert-butyl 5-(iodomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
CAS Number:
2138227-36-6
Molecular Formula:
C12H18INO4
Molecular Weight:
367.1801
MDL Number:
MFCD31435008
IUPAC Name:
tert-butyl 5-(iodomethyl)-7-oxo-6-oxa-2-azaspiro[3.4]octane-2-carboxylate
InChI:
InChI=1S/C12H18INO4/c1-11(2,3)18-10(16)14-6-12(7-14)4-9(15)17-8(12)5-13/h8H,4-7H2,1-3H3
InChI Key:
NMYHDLRKRPQBQF-UHFFFAOYSA-N
SMILES:
ICC1OC(=O)CC21CN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
371  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.028g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
367.183g/mol
Monoisotopic Mass:
367.028g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties