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1160246-76-3 | 2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 1,3-dioxo-, 1,1-dimethylethyl ester
CAS No: 1160246-76-3 Catalog No: AG000BEH MDL No:MFCD12195868
Product Description
Catalog Number:
AG000BEH
Chemical Name:
2,7-Diazaspiro[4.5]decane-7-carboxylic acid, 1,3-dioxo-, 1,1-dimethylethyl ester
CAS Number:
1160246-76-3
Molecular Formula:
C13H20N2O4
Molecular Weight:
268.3089
MDL Number:
MFCD12195868
IUPAC Name:
tert-butyl 1,3-dioxo-2,9-diazaspiro[4.5]decane-9-carboxylate
InChI:
InChI=1S/C13H20N2O4/c1-12(2,3)19-11(18)15-6-4-5-13(8-15)7-9(16)14-10(13)17/h4-8H2,1-3H3,(H,14,16,17)
InChI Key:
KGASDBALYJEYOG-UHFFFAOYSA-N
SMILES:
O=C1NC(=O)C2(C1)CCCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.313g/mol
Monoisotopic Mass:
268.142g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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