Cas no 107622-43-5 (1,2-Benzenediol, 3-(1H-indol-2-yl)-)
107622-43-5 structure
Product Name:1,2-Benzenediol, 3-(1H-indol-2-yl)-
CAS No:107622-43-5
MF:C14H11NO2
MW:225.242643594742
CID:1183691
PubChem ID:11436053
Update Time:2025-04-20
1,2-Benzenediol, 3-(1H-indol-2-yl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol, 3-(1H-indol-2-yl)-
- 3-(1H-indol-2-yl)benzene-1,2-diol
- 107622-43-5
- LKSROJNHUVRZSN-UHFFFAOYSA-
- InChI=1/C14H11NO2/c16-13-7-3-5-10(14(13)17)12-8-9-4-1-2-6-11(9)15-12/h1-8,15-17H
- DTXSID80465810
-
- Inchi: 1S/C14H11NO2/c16-13-7-3-5-10(14(13)17)12-8-9-4-1-2-6-11(9)15-12/h1-8,15-17H
- InChI Key: LKSROJNHUVRZSN-UHFFFAOYSA-N
- SMILES: OC1C(=CC=CC=1C1=CC2C=CC=CC=2N1)O
Computed Properties
- Exact Mass: 224.0712
- Monoisotopic Mass: 225.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 271
- 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: 3
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 53.35
1,2-Benzenediol, 3-(1H-indol-2-yl)- Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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