Cas no 491613-17-3 (1-(1-ethenyl-1H-indol-3-yl)-Ethanone)
491613-17-3 structure
Product Name:1-(1-ethenyl-1H-indol-3-yl)-Ethanone
CAS No:491613-17-3
MF:C12H11NO
MW:185.221843004227
CID:1112952
PubChem ID:12006323
Update Time:2025-04-20
1-(1-ethenyl-1H-indol-3-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-(1-ethenyl-1H-indol-3-yl)-Ethanone
- 1-(1-ethenylindol-3-yl)ethanone
- Ethanone, 1-(1-ethenyl-1H-indol-3-yl)-
- DTXSID40475657
- 3-acetyl-1-vinylindole
- 491613-17-3
-
- Inchi： 1S/C12H11NO/c1-3-13-8-11(9(2)14)10-6-4-5-7-12(10)13/h3-8H,1H2,2H3
- InChI Key： SAHMZWUKZCYVCW-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CN(C=C)C2C=CC=CC=21
Computed Properties
- Exact Mass: 185.084063974g/mol
- Monoisotopic Mass: 185.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 249
- 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: 2.5
- Topological Polar Surface Area: 22?2
1-(1-ethenyl-1H-indol-3-yl)-Ethanone Related Literature
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1. 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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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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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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