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1198284-94-4 | 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
CAS No: 1198284-94-4 Catalog No: AG000PQL MDL No:MFCD13191664
Product Description
Catalog Number:
AG000PQL
Chemical Name:
2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
CAS Number:
1198284-94-4
Molecular Formula:
C14H24N2O3
Molecular Weight:
268.3520
MDL Number:
MFCD13191664
IUPAC Name:
tert-butyl 1-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
InChI:
InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-9-6-14(7-10-16)5-4-8-15-11(14)17/h4-10H2,1-3H3,(H,15,17)
InChI Key:
SRXNZBIOGZNYEO-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(CC1)CCCNC2=O)OC(C)(C)C
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.179g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.357g/mol
Monoisotopic Mass:
268.179g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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