Cas no 1383706-61-3 (1H-Indazole, 3-ethynyl-6-methyl-)
1383706-61-3 structure
Product Name:1H-Indazole, 3-ethynyl-6-methyl-
CAS No:1383706-61-3
MF:C10H8N2
MW:156.183921813965
CID:2123122
Update Time:2023-08-04
1H-Indazole, 3-ethynyl-6-methyl- Chemical and Physical Properties
Names and Identifiers
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- 3-ethynyl-6-methyl-1H-indazole
- 1H-Indazole, 3-ethynyl-6-methyl-
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- Inchi: 1S/C10H8N2/c1-3-9-8-5-4-7(2)6-10(8)12-11-9/h1,4-6H,2H3,(H,11,12)
- InChI Key: UBNAORJFXBOSFM-UHFFFAOYSA-N
- SMILES: N1C(C#C)=C2C=CC(C)=CC2=N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 215
- Topological Polar Surface Area: 28.7
1H-Indazole, 3-ethynyl-6-methyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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