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101711-13-1 | Benzenebutanoic acid, α-hydroxy-α-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS No: 101711-13-1 Catalog No: AG0005AI MDL No:
Product Description
Catalog Number:
AG0005AI
Chemical Name:
Benzenebutanoic acid, α-hydroxy-α-phenyl-, 1-azabicyclo[2.2.2]oct-3-yl ester
CAS Number:
101711-13-1
Molecular Formula:
C23H27NO3
Molecular Weight:
365.4654
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxy-2,4-diphenylbutanoate
InChI:
InChI=1S/C23H27NO3/c25-22(27-21-17-24-15-12-19(21)13-16-24)23(26,20-9-5-2-6-10-20)14-11-18-7-3-1-4-8-18/h1-10,19,21,26H,11-17H2
InChI Key:
GPVIJQIWNQUTQF-UHFFFAOYSA-N
SMILES:
O=C(C(c1ccccc1)(CCc1ccccc1)O)OC1CN2CCC1CC2
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.199g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
365.473g/mol
Monoisotopic Mass:
365.199g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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