Cas no 219685-08-2 (1H-Indole-1-acetic acid, 4-formyl-, ethyl ester)
219685-08-2 structure
Product Name:1H-Indole-1-acetic acid, 4-formyl-, ethyl ester
CAS No:219685-08-2
MF:C13H13NO3
MW:231.247223615646
CID:1409450
Update Time:2024-08-16
1H-Indole-1-acetic acid, 4-formyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1H-Indole-1-acetic acid, 4-formyl-, ethyl ester
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- Inchi： 1S/C13H13NO3/c1-2-17-13(16)8-14-7-6-11-10(9-15)4-3-5-12(11)14/h3-7,9H,2,8H2,1H3
- InChI Key： WFGPVZHRPUDUHE-UHFFFAOYSA-N
- SMILES： N1(CC(OCC)=O)C2=C(C(C=O)=CC=C2)C=C1
Computed Properties
- Exact Mass: 231.08959
Experimental Properties
- Density: 1.18±0.1 g/cm3(Predicted)
- Boiling Point: 397.5±22.0 °C(Predicted)
- PSA: 48.3
1H-Indole-1-acetic acid, 4-formyl-, ethyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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