Cas no 109897-76-9 (1H-Indole-3-propanoicacid, cyclohexyl ester)
109897-76-9 structure
Product Name:1H-Indole-3-propanoicacid, cyclohexyl ester
CAS No:109897-76-9
MF:C17H21NO2
MW:271.35414481163
CID:200623
Update Time:2024-03-01
1H-Indole-3-propanoicacid, cyclohexyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-3-propanoicacid, cyclohexyl ester
- Indobinine
-
- Inchi： 1S/C17H21NO2/c19-17(20-14-6-2-1-3-7-14)11-10-13-12-18-16-9-5-4-8-15(13)16/h4-5,8-9,12,14,18H,1-3,6-7,10-11H2
- InChI Key： WRQDMKSMJOELTQ-UHFFFAOYSA-N
- SMILES： N1C2=C(C=CC=C2)C(CCC(OC2CCCCC2)=O)=C1
Computed Properties
- Exact Mass: 271.15733
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- XLogP3: 3.123
Experimental Properties
- PSA: 42.09
1H-Indole-3-propanoicacid, cyclohexyl ester Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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