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1251009-03-6 | 2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester
CAS No: 1251009-03-6 Catalog No: AG000N5I MDL No:MFCD14581194
Product Description
Catalog Number:
AG000N5I
Chemical Name:
2,7-Diazaspiro[4.4]nonane-2-carboxylic acid, 8-oxo-, 1,1-dimethylethyl ester
CAS Number:
1251009-03-6
Molecular Formula:
C12H20N2O3
Molecular Weight:
240.2988
MDL Number:
MFCD14581194
IUPAC Name:
tert-butyl 8-oxo-2,7-diazaspiro[4.4]nonane-2-carboxylate
InChI:
InChI=1S/C12H20N2O3/c1-11(2,3)17-10(16)14-5-4-12(8-14)6-9(15)13-7-12/h4-8H2,1-3H3,(H,13,15)
InChI Key:
UTKCYVWXAPAFRO-UHFFFAOYSA-N
SMILES:
O=C1NCC2(C1)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:
0.4
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