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154905-36-9 | 7-Azabicyclo[2.2.1]heptane-7-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl ester, (1R,2S,4S)-rel-
CAS No: 154905-36-9 Catalog No: AG001NGT MDL No:MFCD27966776
Product Description
Catalog Number:
AG001NGT
Chemical Name:
7-Azabicyclo[2.2.1]heptane-7-carboxylic acid, 2-hydroxy-, 1,1-dimethylethyl ester, (1R,2S,4S)-rel-
CAS Number:
154905-36-9
Molecular Formula:
C11H19NO3
Molecular Weight:
213.2735
MDL Number:
MFCD27966776
IUPAC Name:
tert-butyl (1R,2S,4S)-2-hydroxy-7-azabicyclo[2.2.1]heptane-7-carboxylate
InChI:
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-5-8(12)9(13)6-7/h7-9,13H,4-6H2,1-3H3/t7-,8+,9-/m0/s1
InChI Key:
WKKIHGBRNBOCMB-YIZRAAEISA-N
SMILES:
O[C@H]1C[C@H]2N([C@@H]1CC2)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:
1.2
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