Cas no 128200-38-4 (5-methoxy-1-methyl-1H-Indole-3-carbonitrile)
128200-38-4 structure
Product Name:5-methoxy-1-methyl-1H-Indole-3-carbonitrile
CAS No:128200-38-4
MF:C11H10N2O
MW:186.20990228653
CID:1104021
PubChem ID:91605366
Update Time:2025-04-20
5-methoxy-1-methyl-1H-Indole-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
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- 5-methoxy-1-methyl-1H-Indole-3-carbonitrile
- 128200-38-4
- DA-20706
- SCHEMBL18365442
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- Inchi: 1S/C11H10N2O/c1-13-7-8(6-12)10-5-9(14-2)3-4-11(10)13/h3-5,7H,1-2H3
- InChI Key: OIPMMVPDCMQPEK-UHFFFAOYSA-N
- SMILES: COC1C=C2C(N(C=C2C#N)C)=CC=1
Computed Properties
- Exact Mass: 186.079312947g/mol
- Monoisotopic Mass: 186.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- 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
- Topological Polar Surface Area: 38?2
5-methoxy-1-methyl-1H-Indole-3-carbonitrile Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
128200-38-4 (5-methoxy-1-methyl-1H-Indole-3-carbonitrile) Related Products
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