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Home > Indoles and Oxindole > 862466-65-7
862466-65-7 | 2,5-Hexadienoic acid, 2-hydroxy-4-oxo-6-(1-phenyl-1H-indol-3-yl)-
CAS No: 862466-65-7 Catalog No: AG004JTA MDL No:
Product Description
Catalog Number:
AG004JTA
Chemical Name:
2,5-Hexadienoic acid, 2-hydroxy-4-oxo-6-(1-phenyl-1H-indol-3-yl)-
CAS Number:
862466-65-7
Molecular Formula:
C20H15NO4
Molecular Weight:
333.3374
IUPAC Name:
2-hydroxy-4-oxo-6-(1-phenylindol-3-yl)hexa-2,5-dienoic acid
InChI:
InChI=1S/C20H15NO4/c22-16(12-19(23)20(24)25)11-10-14-13-21(15-6-2-1-3-7-15)18-9-5-4-8-17(14)18/h1-13,23H,(H,24,25)
InChI Key:
IYSYGYQLGLFTQP-UHFFFAOYSA-N
SMILES:
O=C(C=C(C(=O)O)O)C=Cc1cn(c2c1cccc2)c1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.1g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
333.343g/mol
Monoisotopic Mass:
333.1g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
3.9
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