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864684-96-8 | tert-Butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CAS No: 864684-96-8 Catalog No: AG004MZH MDL No:MFCD08706105
Product Description
Catalog Number:
AG004MZH
Chemical Name:
tert-Butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
CAS Number:
864684-96-8
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD08706105
IUPAC Name:
tert-butyl 1-oxa-7-azaspiro[3.5]nonane-7-carboxylate
InChI:
InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-7-4-12(5-8-13)6-9-15-12/h4-9H2,1-3H3
InChI Key:
WTKKPVRQCZKUDT-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CCO2)OC(C)(C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.152g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.304g/mol
Monoisotopic Mass:
227.152g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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