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198835-02-8 | 2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 6-hydroxy-, 1,1-dimethylethyl ester, (1R,4S,6R)-rel-
CAS No: 198835-02-8 Catalog No: AG002BR7 MDL No:MFCD17016676
Product Description
Catalog Number:
AG002BR7
Chemical Name:
2-Azabicyclo[2.2.1]heptane-2-carboxylic acid, 6-hydroxy-, 1,1-dimethylethyl ester, (1R,4S,6R)-rel-
CAS Number:
198835-02-8
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD17016676
IUPAC Name:
tert-butyl (1R,4S,6R)-6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7/h7-9,13H,4-6H2,1-3H3/t7-,8+,9+/m0/s1
InChI Key:
PABFVGKPNHVSCG-DJLDLDEBSA-N
SMILES:
O[C@@H]1C[C@@H]2C[C@H]1N(C2)C(=O)OC(C)(C)C
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
213.136g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.277g/mol
Monoisotopic Mass:
213.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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