Cas no 41727-73-5 (1H-Indole-3,6,7-triol(9CI))
1H-Indole-3,6,7-triol(9CI) structure
Product Name:1H-Indole-3,6,7-triol(9CI)
CAS No:41727-73-5
MF:C8H7NO3
MW:165.146082162857
CID:927315
PubChem ID:45115962
Update Time:2025-04-19
1H-Indole-3,6,7-triol(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3,6,7-triol(9CI)
- 1H-indole-3,6,7-triol
- 41727-73-5
- DTXSID70668393
-
- Inchi： 1S/C8H7NO3/c10-5-2-1-4-6(11)3-9-7(4)8(5)12/h1-3,9-12H
- InChI Key： YTTRLPDXPIJGBK-UHFFFAOYSA-N
- SMILES： OC1=CNC2C(=C(C=CC=21)O)O
Computed Properties
- Exact Mass: 165.042593085g/mol
- Monoisotopic Mass: 165.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 176
- 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: 1
- Topological Polar Surface Area: 76.5?2
1H-Indole-3,6,7-triol(9CI) Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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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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