Cas no 58621-39-9 (Ethanone, 1-[2-hydroxy-3-(2-propenyl)phenyl]-)
![Ethanone, 1-[2-hydroxy-3-(2-propenyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/59000/58621-39-9x500.png)
58621-39-9 structure
Product Name:Ethanone, 1-[2-hydroxy-3-(2-propenyl)phenyl]-
CAS No:58621-39-9
MF:C11H12O2
MW:176.211783409119
CID:341457
PubChem ID:13026916
Update Time:2025-04-19
Ethanone, 1-[2-hydroxy-3-(2-propenyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[2-hydroxy-3-(2-propenyl)phenyl]-
- 1-(2-hydroxy-3-prop-2-enylphenyl)ethanone
- 1-(3-allyl-2-hydroxyphenyl)ethanone
- SCHEMBL1319623
- MTJHOBKCHPGIOG-UHFFFAOYSA-N
- 1-[2-Hydroxy-3-(prop-2-en-1-yl)phenyl]ethan-1-one
- FT-0703375
- 58621-39-9
- DTXSID10515594
- 3'-allyl-2'-hydroxyacetophenone
-
- Inchi： 1S/C11H12O2/c1-3-5-9-6-4-7-10(8(2)12)11(9)13/h3-4,6-7,13H,1,5H2,2H3
- InChI Key： MTJHOBKCHPGIOG-UHFFFAOYSA-N
- SMILES： OC1C(C(C)=O)=CC=CC=1CC=C
Computed Properties
- Exact Mass: 176.08376
- Monoisotopic Mass: 176.08373
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 198
- 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
- Topological Polar Surface Area: 37.3
- XLogP3: 2.9
Experimental Properties
- Density: 1.076
- Boiling Point: 277.579°C at 760 mmHg
- Flash Point: 116.114°C
- Refractive Index: 1.549
- PSA: 37.3
Ethanone, 1-[2-hydroxy-3-(2-propenyl)phenyl]- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
58621-39-9 (Ethanone, 1-[2-hydroxy-3-(2-propenyl)phenyl]-) Related Products
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