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1251000-12-0 | 8-Oxa-2,5-diazaspiro[3.5]nonane-2-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS No: 1251000-12-0 Catalog No: AG000N61 MDL No:MFCD18791711
Product Description
Catalog Number:
AG000N61
Chemical Name:
8-Oxa-2,5-diazaspiro[3.5]nonane-2-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS Number:
1251000-12-0
Molecular Formula:
C11H18N2O4
Molecular Weight:
242.2716
MDL Number:
MFCD18791711
IUPAC Name:
tert-butyl 6-oxo-8-oxa-2,5-diazaspiro[3.5]nonane-2-carboxylate
InChI:
InChI=1S/C11H18N2O4/c1-10(2,3)17-9(15)13-5-11(6-13)7-16-4-8(14)12-11/h4-7H2,1-3H3,(H,12,14)
InChI Key:
WKDQFJDMUHLDFP-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)COCC(=O)N2)OC(C)(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.127g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.275g/mol
Monoisotopic Mass:
242.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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