Cas no 88150-26-9 (1H-Indole, 1-(1-oxo-2-propenyl)-)
88150-26-9 structure
Product Name:1H-Indole, 1-(1-oxo-2-propenyl)-
CAS No:88150-26-9
MF:C11H9NO
MW:171.195262670517
CID:643089
PubChem ID:13310384
Update Time:2025-04-19
1H-Indole, 1-(1-oxo-2-propenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole, 1-(1-oxo-2-propenyl)-
- 1-indol-1-ylprop-2-en-1-one
- 1-(1H-Indol-1-yl)prop-2-en-1-one
- A1-21544
- SCHEMBL10835083
- 88150-26-9
- DTXSID20536290
-
- Inchi： 1S/C11H9NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-8H,1H2
- InChI Key： OBZWRPZXSLXBOL-UHFFFAOYSA-N
- SMILES： O=C(C=C)N1C=CC2C=CC=CC1=2
Computed Properties
- Exact Mass: 171.068413911g/mol
- Monoisotopic Mass: 171.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 224
- 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: 3.2
- Topological Polar Surface Area: 22?2
1H-Indole, 1-(1-oxo-2-propenyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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