Cas no 57477-60-8 (3-hydroxy-1H-Indole-2-carbonitrile)
57477-60-8 structure
Product Name:3-hydroxy-1H-Indole-2-carbonitrile
CAS No:57477-60-8
MF:C9H6N2O
MW:158.15674161911
CID:1114262
PubChem ID:13517309
Update Time:2025-04-20
3-hydroxy-1H-Indole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroxy-1H-Indole-2-carbonitrile
- 57477-60-8
- SCHEMBL8588245
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- Inchi： 1S/C9H6N2O/c10-5-8-9(12)6-3-1-2-4-7(6)11-8/h1-4,11-12H
- InChI Key： KELFXZMVGRLJFC-UHFFFAOYSA-N
- SMILES： OC1=C(C#N)NC2C=CC=CC=21
Computed Properties
- Exact Mass: 158.048012819g/mol
- Monoisotopic Mass: 158.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 220
- 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: 2.3
- Topological Polar Surface Area: 59.8?2
3-hydroxy-1H-Indole-2-carbonitrile Related Literature
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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