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1245917-55-8

1245917-55-8 | 2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 3,5-dioxo-, 1,1-dimethylethyl ester

CAS No: 1245917-55-8 Catalog No: AG000MFQ MDL No:MFCD20926184

Product Description

Catalog Number:
AG000MFQ
Chemical Name:
2,9-Diazaspiro[5.5]undecane-9-carboxylic acid, 3,5-dioxo-, 1,1-dimethylethyl ester
CAS Number:
1245917-55-8
Molecular Formula:
C14H22N2O4
Molecular Weight:
282.3355
MDL Number:
MFCD20926184
IUPAC Name:
tert-butyl 3,5-dioxo-2,9-diazaspiro[5.5]undecane-9-carboxylate
InChI:
InChI=1S/C14H22N2O4/c1-13(2,3)20-12(19)16-6-4-14(5-7-16)9-15-11(18)8-10(14)17/h4-9H2,1-3H3,(H,15,18)
InChI Key:
KTUOBYLQQOEIAE-UHFFFAOYSA-N
SMILES:
O=C1NCC2(C(=O)C1)CCN(CC2)C(=O)OC(C)(C)C

Properties

Complexity:
431  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.158g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.34g/mol
Monoisotopic Mass:
282.158g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  

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