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1160247-03-9 | 4-Oxa-1,9-diazaspiro[5.5]undecane-9-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS No: 1160247-03-9 Catalog No: AG000BE8 MDL No:MFCD12198542
Product Description
Catalog Number:
AG000BE8
Chemical Name:
4-Oxa-1,9-diazaspiro[5.5]undecane-9-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1160247-03-9
Molecular Formula:
C13H22N2O4
Molecular Weight:
270.3248
MDL Number:
MFCD12198542
IUPAC Name:
tert-butyl 2-oxo-4-oxa-1,9-diazaspiro[5.5]undecane-9-carboxylate
InChI:
InChI=1S/C13H22N2O4/c1-12(2,3)19-11(17)15-6-4-13(5-7-15)9-18-8-10(16)14-13/h4-9H2,1-3H3,(H,14,16)
InChI Key:
QKXMLYAKUCFKGQ-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)COCC(=O)N2)OC(C)(C)C
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.158g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.329g/mol
Monoisotopic Mass:
270.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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