Cas no 412029-31-3 (1H-Indole-6,7-diol (9CI))
1H-Indole-6,7-diol (9CI) structure
Product Name:1H-Indole-6,7-diol (9CI)
CAS No:412029-31-3
MF:C8H7NO2
MW:149.146682024002
CID:1017524
PubChem ID:21243239
Update Time:2025-04-20
1H-Indole-6,7-diol (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-6,7-diol (9CI)
- 1H-indole-6,7-diol
- DTXSID00611574
- 412029-31-3
- SCHEMBL1875458
- AKOS006332440
-
- Inchi： 1S/C8H7NO2/c10-6-2-1-5-3-4-9-7(5)8(6)11/h1-4,9-11H
- InChI Key： NLCITBUDQXHLLX-UHFFFAOYSA-N
- SMILES： OC1=C(C=CC2C=CNC=21)O
Computed Properties
- Exact Mass: 149.047678466g/mol
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 56.2?2
1H-Indole-6,7-diol (9CI) Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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