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Home > Indoles and Oxindole > 68327-78-6
68327-78-6 | 1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]-
CAS No: 68327-78-6 Catalog No: AG006M0O MDL No:
Product Description
Catalog Number:
AG006M0O
Chemical Name:
1H-Isoindol-1-one, 2,3-dihydro-2-[4-(1-hydroxyethyl)phenyl]-
CAS Number:
68327-78-6
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
2-[4-(1-hydroxyethyl)phenyl]-3H-isoindol-1-one
InChI:
InChI=1S/C16H15NO2/c1-11(18)12-6-8-14(9-7-12)17-10-13-4-2-3-5-15(13)16(17)19/h2-9,11,18H,10H2,1H3
InChI Key:
IWNMUHONWMTBEV-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)N1Cc2c(C1=O)cccc2)O
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Comparative study of the photophysical properties of indoprofen photoproducts in relation with their DNA photosensitizing properties. | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20050301 |
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