Cas no 113370-02-8 (1H-Indole-5,6-diol 5-acetate)
1H-Indole-5,6-diol 5-acetate structure
Product Name:1H-Indole-5,6-diol 5-acetate
CAS No:113370-02-8
MF:C10H9NO3
MW:191.183362722397
CID:1201108
PubChem ID:14529095
Update Time:2025-04-20
1H-Indole-5,6-diol 5-acetate Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-5,6-diol 5-acetate
- 6-HYDROXY-1H-INDOL-5-YL ACETATE
- 113370-02-8
- DTXSID301308183
- SCHEMBL1702125
- 1H-Indole-5,6-diol, 5-acetate
-
- Inchi： 1S/C10H9NO3/c1-6(12)14-10-4-7-2-3-11-8(7)5-9(10)13/h2-5,11,13H,1H3
- InChI Key： FSYSJTXGNHBKHU-UHFFFAOYSA-N
- SMILES： O(C(C)=O)C1C(=CC2=C(C=CN2)C=1)O
Computed Properties
- Exact Mass: 191.058243149g/mol
- Monoisotopic Mass: 191.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 231
- 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: 1.4
- Topological Polar Surface Area: 62.3?2
1H-Indole-5,6-diol 5-acetate Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
113370-02-8 (1H-Indole-5,6-diol 5-acetate) Related Products
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