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Home > Indoles and Oxindole > 88073-08-9
88073-08-9 | 1H-Isoindol-1-one, 2,3-dihydro-2-(1-hydroxy-2-oxo-2-phenylethyl)-
CAS No: 88073-08-9 Catalog No: AG004KJZ MDL No:
Product Description
Catalog Number:
AG004KJZ
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-2-(1-hydroxy-2-oxo-2-phenylethyl)-
CAS Number:
88073-08-9
Molecular Formula:
C16H13NO3
Molecular Weight:
267.2793
IUPAC Name:
2-(1-hydroxy-2-oxo-2-phenylethyl)-3H-isoindol-1-one
InChI:
InChI=1S/C16H13NO3/c18-14(11-6-2-1-3-7-11)16(20)17-10-12-8-4-5-9-13(12)15(17)19/h1-9,16,20H,10H2
InChI Key:
FNBXYSKHMFVGDS-UHFFFAOYSA-N
SMILES:
O=C(C(N1Cc2c(C1=O)cccc2)O)c1ccccc1
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.284g/mol
Monoisotopic Mass:
267.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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