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Home > Indoles and Oxindole > 189168-16-9
189168-16-9 | Benzoic acid, 4-[2,3-dihydro-3-(4-hydroxyphenyl)-2-oxo-1H-indol-3-yl]-
CAS No: 189168-16-9 Catalog No: AG002HZD MDL No:
Product Description
Catalog Number:
AG002HZD
Chemical Name:
Benzoic acid, 4-[2,3-dihydro-3-(4-hydroxyphenyl)-2-oxo-1H-indol-3-yl]-
CAS Number:
189168-16-9
Molecular Formula:
C21H15NO4
Molecular Weight:
345.3481
IUPAC Name:
4-[3-(4-hydroxyphenyl)-2-oxo-1H-indol-3-yl]benzoic acid
InChI:
InChI=1S/C21H15NO4/c23-16-11-9-15(10-12-16)21(14-7-5-13(6-8-14)19(24)25)17-3-1-2-4-18(17)22-20(21)26/h1-12,23H,(H,22,26)(H,24,25)
InChI Key:
IDXUELIYSVMUGA-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(c2ccc(cc2)C(=O)O)C(=O)Nc2c1cccc2
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.1g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
345.354g/mol
Monoisotopic Mass:
345.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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