Cas no 647860-36-4 (1H-Isoindole-5-carbonitrile, 2,3-dihydro-2-hydroxy-1,3-dioxo-)
647860-36-4 structure
Product Name:1H-Isoindole-5-carbonitrile, 2,3-dihydro-2-hydroxy-1,3-dioxo-
CAS No:647860-36-4
MF:C9H4N2O3
MW:188.13966178894
CID:415750
PubChem ID:71378603
Update Time:2025-04-19
1H-Isoindole-5-carbonitrile, 2,3-dihydro-2-hydroxy-1,3-dioxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Isoindole-5-carbonitrile, 2,3-dihydro-2-hydroxy-1,3-dioxo-
- 2-hydroxy-1,3-dioxoisoindole-5-carbonitrile
- 2-Hydroxy-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carbonitrile
- 647860-36-4
- DTXSID20801213
-
- Inchi： 1S/C9H4N2O3/c10-4-5-1-2-6-7(3-5)9(13)11(14)8(6)12/h1-3,14H
- InChI Key： HKQOTJTVOKZBKW-UHFFFAOYSA-N
- SMILES： ON1C(C2C=CC(C#N)=CC=2C1=O)=O
Computed Properties
- Exact Mass: 188.02219199g/mol
- Monoisotopic Mass: 188.02219199g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 0
- Complexity: 343
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 81.4?2
1H-Isoindole-5-carbonitrile, 2,3-dihydro-2-hydroxy-1,3-dioxo- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
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