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89668-33-7 | Benzoic acid, 2-(acetyloxy)-5-[[3-phenyl-3-(3-pyridinyl)-2-propenyl]oxy]-
CAS No: 89668-33-7 Catalog No: AG0043SX MDL No:
Product Description
Catalog Number:
AG0043SX
Chemical Name:
Benzoic acid, 2-(acetyloxy)-5-[[3-phenyl-3-(3-pyridinyl)-2-propenyl]oxy]-
CAS Number:
89668-33-7
Molecular Formula:
C23H19NO5
Molecular Weight:
389.4007
IUPAC Name:
2-acetyloxy-5-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid
InChI:
InChI=1S/C23H19NO5/c1-16(25)29-22-10-9-19(14-21(22)23(26)27)28-13-11-20(17-6-3-2-4-7-17)18-8-5-12-24-15-18/h2-12,14-15H,13H2,1H3,(H,26,27)
InChI Key:
XQTYINFPFJOXCH-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc(cc1C(=O)O)OCC=C(c1cccnc1)c1ccccc1
Properties
Complexity:
584
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.126g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.407g/mol
Monoisotopic Mass:
389.126g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.1
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