Cas no 155703-10-9 (1,6-diacetyl-1H-Indole)
1,6-diacetyl-1H-Indole structure
Product Name:1,6-diacetyl-1H-Indole
CAS No:155703-10-9
MF:C12H11NO2
MW:201.221243143082
CID:1106834
PubChem ID:11435601
Update Time:2025-04-20
1,6-diacetyl-1H-Indole Chemical and Physical Properties
Names and Identifiers
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- 1,6-diacetyl-1H-Indole
- 1-(1-acetylindol-6-yl)ethanone
- 1,6-diacetylindole
- 1H-Indole,1,6-diacetyl
- 1,1'-(1H-Indole-1,6-diyl)diethanone
- 1H-Indole, 1,6-diacetyl-
- DTXSID70465763
- 1-(6-acetyl-1H-indol-1-yl)ethan-1-one
- 155703-10-9
-
- Inchi： 1S/C12H11NO2/c1-8(14)11-4-3-10-5-6-13(9(2)15)12(10)7-11/h3-7H,1-2H3
- InChI Key： PWNVGKQACGGEDK-UHFFFAOYSA-N
- SMILES： O=C(C)N1C=CC2C=CC(C(C)=O)=CC1=2
Computed Properties
- Exact Mass: 201.07900
- Monoisotopic Mass: 201.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 287
- 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: 1.6
- Topological Polar Surface Area: 39.1?2
Experimental Properties
- PSA: 39.07000
- LogP: 2.50400
1,6-diacetyl-1H-Indole Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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4. 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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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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