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1251021-18-7 | 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS No: 1251021-18-7 Catalog No: AG000N68 MDL No:MFCD17017451
Product Description
Catalog Number:
AG000N68
Chemical Name:
2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1251021-18-7
Molecular Formula:
C14H24N2O3
Molecular Weight:
268.3520
MDL Number:
MFCD17017451
IUPAC Name:
tert-butyl 3-oxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
InChI:
InChI=1S/C14H24N2O3/c1-13(2,3)19-12(18)16-8-6-14(7-9-16)5-4-11(17)15-10-14/h4-10H2,1-3H3,(H,15,17)
InChI Key:
RVORUJPDSDOBTI-UHFFFAOYSA-N
SMILES:
O=C1CCC2(CN1)CCN(CC2)C(=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:
1.1
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