Cas no 5638-85-7 (1H-Indole-2,3-diol)
1H-Indole-2,3-diol structure
Product Name:1H-Indole-2,3-diol
1H-Indole-2,3-diol Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2,3-diol
- DIHYDROXYINDOLE
- Q27102651
- INDOLE-2,3-DIOL
- CHEBI:17828
- 2,3-dihydroxyindol
- DTXSID10204936
- 5638-85-7
- AKOS006277101
- 2,3-Dihydroxyindole
- C02775
- SCHEMBL49099
-
- Inchi： 1S/C8H7NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4,9-11H
- InChI Key： PGNRLPTYNKQQDY-UHFFFAOYSA-N
- SMILES： OC1=C(NC2C=CC=CC=21)O
Computed Properties
- Exact Mass: 149.04771
- Monoisotopic Mass: 149.047678466g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 151
- 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
- Surface Charge: 0
- Tautomer Count: 3
- XLogP3: 1.7
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 56.25
1H-Indole-2,3-diol Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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