Cas no 1071973-96-0 (5-methoxy-6-methyl-1H-Indole-3-carbonitrile)
1071973-96-0 structure
Product Name:5-methoxy-6-methyl-1H-Indole-3-carbonitrile
CAS No:1071973-96-0
MF:C11H10N2O
MW:186.20990228653
CID:1098044
PubChem ID:58437440
Update Time:2025-04-20
5-methoxy-6-methyl-1H-Indole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 5-methoxy-6-methyl-1H-Indole-3-carbonitrile
- 1071973-96-0
- DTXSID001261592
- SCHEMBL188260
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- Inchi: 1S/C11H10N2O/c1-7-3-10-9(4-11(7)14-2)8(5-12)6-13-10/h3-4,6,13H,1-2H3
- InChI Key: KHIHRNCHRZMWNQ-UHFFFAOYSA-N
- SMILES: O(C)C1=CC2C(C#N)=CNC=2C=C1C
Computed Properties
- Exact Mass: 186.079312947g/mol
- Monoisotopic Mass: 186.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 257
- 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: 2.1
- Topological Polar Surface Area: 48.8?2
5-methoxy-6-methyl-1H-Indole-3-carbonitrile Related Literature
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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