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89667-97-0 | Benzoic acid, 4-[[3-phenyl-3-(3-pyridinyl)-2-propenyl]oxy]-
CAS No: 89667-97-0 Catalog No: AG0043HS MDL No:
Product Description
Catalog Number:
AG0043HS
Chemical Name:
Benzoic acid, 4-[[3-phenyl-3-(3-pyridinyl)-2-propenyl]oxy]-
CAS Number:
89667-97-0
Molecular Formula:
C21H17NO3
Molecular Weight:
331.3646
IUPAC Name:
4-(3-phenyl-3-pyridin-3-ylprop-2-enoxy)benzoic acid
InChI:
InChI=1S/C21H17NO3/c23-21(24)17-8-10-19(11-9-17)25-14-12-20(16-5-2-1-3-6-16)18-7-4-13-22-15-18/h1-13,15H,14H2,(H,23,24)
InChI Key:
AXWFSDLCBUBWNT-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)OCC=C(c1cccnc1)c1ccccc1
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.121g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.371g/mol
Monoisotopic Mass:
331.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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