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89667-99-2 | Benzeneacetic acid, 2-[[3-phenyl-3-(3-pyridinyl)-2-propenyl]oxy]-
CAS No: 89667-99-2 Catalog No: AG0044KB MDL No:
Product Description
Catalog Number:
AG0044KB
Chemical Name:
Benzeneacetic acid, 2-[[3-phenyl-3-(3-pyridinyl)-2-propenyl]oxy]-
CAS Number:
89667-99-2
Molecular Formula:
C22H19NO3
Molecular Weight:
345.3912
IUPAC Name:
2-[2-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)phenyl]acetic acid
InChI:
InChI=1S/C22H19NO3/c24-22(25)15-18-9-4-5-11-21(18)26-14-12-20(17-7-2-1-3-8-17)19-10-6-13-23-16-19/h1-13,16H,14-15H2,(H,24,25)
InChI Key:
ASVNGBIMIJDQSF-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccccc1OCC=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:
1
Isotope Atom Count:
0
Molecular Weight:
345.398g/mol
Monoisotopic Mass:
345.136g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.3
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