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109840-91-7 | endo-Benzyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CAS No: 109840-91-7 Catalog No: AG003SW8 MDL No:MFCD09991642
Product Description
Catalog Number:
AG003SW8
Chemical Name:
endo-Benzyl 3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
CAS Number:
109840-91-7
Molecular Formula:
C15H19NO3
Molecular Weight:
261.3163
MDL Number:
MFCD09991642
IUPAC Name:
benzyl (1S,5R)-3-hydroxy-8-azabicyclo[3.2.1]octane-8-carboxylate
InChI:
InChI=1S/C15H19NO3/c17-14-8-12-6-7-13(9-14)16(12)15(18)19-10-11-4-2-1-3-5-11/h1-5,12-14,17H,6-10H2/t12-,13+,14?
InChI Key:
AXRYOOOSGBBQPJ-PBWFPOADSA-N
SMILES:
O[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
261.136g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.321g/mol
Monoisotopic Mass:
261.136g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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