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123387-51-9 | 1,4-Dioxa-8-azaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester
CAS No: 123387-51-9 Catalog No: AG000KHW MDL No:MFCD08460981
Product Description
Catalog Number:
AG000KHW
Chemical Name:
1,4-Dioxa-8-azaspiro[4.5]decane-8-carboxylic acid, 1,1-dimethylethyl ester
CAS Number:
123387-51-9
Molecular Formula:
C12H21NO4
Molecular Weight:
243.2994
MDL Number:
MFCD08460981
IUPAC Name:
tert-butyl 1,4-dioxa-8-azaspiro[4.5]decane-8-carboxylate
InChI:
InChI=1S/C12H21NO4/c1-11(2,3)17-10(14)13-6-4-12(5-7-13)15-8-9-16-12/h4-9H2,1-3H3
InChI Key:
IRDYCXRTVGCLGY-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)OCCO2)OC(C)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.303g/mol
Monoisotopic Mass:
243.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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