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1251013-26-9 | 3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS No: 1251013-26-9 Catalog No: AG000N6J MDL No:MFCD17016750
Product Description
Catalog Number:
AG000N6J
Chemical Name:
3-Azabicyclo[3.1.1]heptane-3-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS Number:
1251013-26-9
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
MDL Number:
MFCD17016750
IUPAC Name:
tert-butyl 6-oxo-3-azabicyclo[3.1.1]heptane-3-carboxylate
InChI:
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-5-7-4-8(6-12)9(7)13/h7-8H,4-6H2,1-3H3
InChI Key:
HYSWAZRVGXDNQF-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CC(C1)C2=O)OC(C)(C)C
Properties
Complexity:
291
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:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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