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20811-73-8 | Benzenepropanoic acid, α,β-diphenyl-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
CAS No: 20811-73-8 Catalog No: AG002JHO MDL No:
Product Description
Catalog Number:
AG002JHO
Chemical Name:
Benzenepropanoic acid, α,β-diphenyl-, 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester
CAS Number:
20811-73-8
Molecular Formula:
C29H31NO2
Molecular Weight:
425.5619
IUPAC Name:
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2,3,3-triphenylpropanoate
InChI:
InChI=1S/C29H31NO2/c1-30-24-17-18-25(30)20-26(19-24)32-29(31)28(23-15-9-4-10-16-23)27(21-11-5-2-6-12-21)22-13-7-3-8-14-22/h2-16,24-28H,17-20H2,1H3
InChI Key:
QOTYPDRQKBVTFO-UHFFFAOYSA-N
SMILES:
O=C(C(C(c1ccccc1)c1ccccc1)c1ccccc1)OC1CC2CCC(C1)N2C
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.235g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.572g/mol
Monoisotopic Mass:
425.235g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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