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1246281-86-6 | 6-Azabicyclo[3.1.1]heptane-6-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS No: 1246281-86-6 Catalog No: AG000MI1 MDL No:MFCD22571628
Product Description
Catalog Number:
AG000MI1
Chemical Name:
6-Azabicyclo[3.1.1]heptane-6-carboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS Number:
1246281-86-6
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
MDL Number:
MFCD22571628
IUPAC Name:
tert-butyl 3-oxo-6-azabicyclo[3.1.1]heptane-6-carboxylate
InChI:
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-7-4-8(12)6-9(13)5-7/h7-8H,4-6H2,1-3H3
InChI Key:
MXCNJPMLNRBZJB-UHFFFAOYSA-N
SMILES:
O=C1CC2CC(C1)N2C(=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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