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Home > Other Heterocycles > 102585-81-9
102585-81-9 | 9-Azabicyclo[3.3.1]nonan-3-ol, 9-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-phenyl-
CAS No: 102585-81-9 Catalog No: AG0007UK MDL No:
Product Description
Catalog Number:
AG0007UK
Chemical Name:
9-Azabicyclo[3.3.1]nonan-3-ol, 9-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-3-phenyl-
CAS Number:
102585-81-9
Molecular Formula:
C23H27NO3
Molecular Weight:
365.4654
IUPAC Name:
9-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-phenyl-9-azabicyclo[3.3.1]nonan-3-ol
InChI:
InChI=1S/C23H27NO3/c25-23(17-7-2-1-3-8-17)13-18-9-6-10-19(14-23)24(18)15-20-16-26-21-11-4-5-12-22(21)27-20/h1-5,7-8,11-12,18-20,25H,6,9-10,13-16H2
InChI Key:
KTMZFYSWBIJTHZ-UHFFFAOYSA-N
SMILES:
OC1(CC2CCCC(C1)N2CC1COc2c(O1)cccc2)c1ccccc1
Properties
Complexity:
492
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:
3
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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