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Home > Indoles and Oxindole > 143647-58-9
143647-58-9 | 1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)-
CAS No: 143647-58-9 Catalog No: AG007JPC MDL No:MFCD00215774
Product Description
Catalog Number:
AG007JPC
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-3-hydroxy-2-phenyl-3-(phenylethynyl)-
CAS Number:
143647-58-9
Molecular Formula:
C22H15NO2
Molecular Weight:
325.3600
MDL Number:
MFCD00215774
IUPAC Name:
3-hydroxy-2-phenyl-3-(2-phenylethynyl)isoindol-1-one
InChI:
InChI=1S/C22H15NO2/c24-21-19-13-7-8-14-20(19)22(25,16-15-17-9-3-1-4-10-17)23(21)18-11-5-2-6-12-18/h1-14,25H
InChI Key:
ZOYBFRXHSUYDHK-UHFFFAOYSA-N
SMILES:
O=C1c2ccccc2C(N1c1ccccc1)(O)C#Cc1ccccc1
Properties
Complexity:
561
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.11g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
325.367g/mol
Monoisotopic Mass:
325.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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