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89668-05-3 | Benzoic acid, 2-[[3-phenyl-3-(3-pyridinyl)-2-propenyl]oxy]-, methyl ester
CAS No: 89668-05-3 Catalog No: AG0044KA MDL No:
Product Description
Catalog Number:
AG0044KA
Chemical Name:
Benzoic acid, 2-[[3-phenyl-3-(3-pyridinyl)-2-propenyl]oxy]-, methyl ester
CAS Number:
89668-05-3
Molecular Formula:
C22H19NO3
Molecular Weight:
345.3912
IUPAC Name:
methyl 2-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoate
InChI:
InChI=1S/C22H19NO3/c1-25-22(24)20-11-5-6-12-21(20)26-15-13-19(17-8-3-2-4-9-17)18-10-7-14-23-16-18/h2-14,16H,15H2,1H3
InChI Key:
UJVHTSRTTZLQJK-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccccc1OCC=C(c1cccnc1)c1ccccc1
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.136g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.398g/mol
Monoisotopic Mass:
345.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.7
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