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1251020-88-8 | 2-Azaspiro[3.3]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester
CAS No: 1251020-88-8 Catalog No: AG000N69 MDL No:MFCD17016196
Product Description
Catalog Number:
AG000N69
Chemical Name:
2-Azaspiro[3.3]heptane-2-carboxylic acid, 5-oxo-, 1,1-dimethylethyl ester
CAS Number:
1251020-88-8
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
MDL Number:
MFCD17016196
IUPAC Name:
tert-butyl 7-oxo-2-azaspiro[3.3]heptane-2-carboxylate
InChI:
InChI=1S/C11H17NO3/c1-10(2,3)15-9(14)12-6-11(7-12)5-4-8(11)13/h4-7H2,1-3H3
InChI Key:
HUDZBXKDAQRXNO-UHFFFAOYSA-N
SMILES:
O=C(N1CC2(C1)CCC2=O)OC(C)(C)C
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.261g/mol
Monoisotopic Mass:
211.121g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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