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Home > Other Heterocycles > 35721-92-7
35721-92-7 | (E)-3-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-3-phenyl-prop-2-enoic acid
CAS No: 35721-92-7 Catalog No: AG0079M0 MDL No:
Product Description
Catalog Number:
AG0079M0
Chemical Name:
(E)-3-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-3-phenyl-prop-2-enoic acid
CAS Number:
35721-92-7
Molecular Formula:
C17H21NO2
Molecular Weight:
271.3541
IUPAC Name:
(E)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-3-phenylprop-2-enoic acid
InChI:
InChI=1S/C17H21NO2/c1-18-14-7-8-15(18)10-13(9-14)16(11-17(19)20)12-5-3-2-4-6-12/h2-6,11,13-15H,7-10H2,1H3,(H,19,20)/b16-11-
InChI Key:
KXRXYBFOJWGYEH-WJDWOHSUSA-N
SMILES:
CN1C2CCC1CC(C2)/C(=C\C(=O)O)/c1ccccc1
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
271.157g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.36g/mol
Monoisotopic Mass:
271.157g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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