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1160246-72-9 | 1,7-Diazaspiro[4.4]nonane-7-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS No: 1160246-72-9 Catalog No: AG000BEK MDL No:MFCD12198506
Product Description
Catalog Number:
AG000BEK
Chemical Name:
1,7-Diazaspiro[4.4]nonane-7-carboxylic acid, 2-oxo-, 1,1-dimethylethyl ester
CAS Number:
1160246-72-9
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD12198506
IUPAC Name:
tert-butyl 2-oxo-1,7-diazaspiro[4.4]nonane-7-carboxylate
InChI:
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-7-6-12(8-14)5-4-9(15)13-12/h4-8H2,1-3H3,(H,13,15)
InChI Key:
KDEWBRLRCKHABS-UHFFFAOYSA-N
SMILES:
O=C1CCC2(N1)CCN(C2)C(=O)OC(C)(C)C
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
240.303g/mol
Monoisotopic Mass:
240.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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