Cas no 58523-18-5 (2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-)
![2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- structure](https://ossimg.kuujia.com/scimg/59000/58523-18-5x500.png)
58523-18-5 structure
Product Name:2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-
CAS No:58523-18-5
MF:C11H9ClO3
MW:224.640362501144
CID:341748
PubChem ID:590320
Update Time:2025-04-19
2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)-
- [4-(3-chloro-3-oxoprop-1-enyl)phenyl] acetate
- 58523-18-5
- DTXSID90343534
- FXTAOSIHTREOSA-UHFFFAOYSA-N
- 4-acetoxycinnamoyl chloride
- p-acetoxycinnamoyl chloride
-
- Inchi： 1S/C11H9ClO3/c1-8(13)15-10-5-2-9(3-6-10)4-7-11(12)14/h2-7H,1H3
- InChI Key： FXTAOSIHTREOSA-UHFFFAOYSA-N
- SMILES： ClC(C=CC1C=CC(=CC=1)OC(C)=O)=O
Computed Properties
- Exact Mass: 224.02407
- Monoisotopic Mass: 224.0240218g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 265
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 2.7
- Topological Polar Surface Area: 43.4?2
Experimental Properties
- PSA: 43.37
2-Propenoyl chloride, 3-[4-(acetyloxy)phenyl]-, (E)- Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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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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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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