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198835-04-0 | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS No: 198835-04-0 Catalog No: AG002BR5 MDL No:MFCD09040748
Product Description
Catalog Number:
AG002BR5
Chemical Name:
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 6-oxo-, 1,1-dimethylethyl ester
CAS Number:
198835-04-0
Molecular Formula:
C11H17NO3
Molecular Weight:
211.2576
MDL Number:
MFCD09040748
IUPAC Name:
tert-butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7/h7-8H,4-6H2,1-3H3
InChI Key:
GMFUILAFZFPFJH-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CC1C(=O)C2)OC(C)(C)C
Properties
Complexity:
305
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:
1.1
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