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1251010-17-9 | 6-Azaspiro[3.4]octane-6-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
CAS No: 1251010-17-9 Catalog No: AG000N6Q MDL No:MFCD17016199
Product Description
Catalog Number:
AG000N6Q
Chemical Name:
6-Azaspiro[3.4]octane-6-carboxylic acid, 1-oxo-, 1,1-dimethylethyl ester
CAS Number:
1251010-17-9
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD17016199
IUPAC Name:
tert-butyl 3-oxo-6-azaspiro[3.4]octane-6-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-7-6-12(8-13)5-4-9(12)14/h4-8H2,1-3H3
InChI Key:
YSPQZAVVKDORTB-UHFFFAOYSA-N
SMILES:
O=C(N1CCC2(C1)CCC2=O)OC(C)(C)C
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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