Cas no 65401-83-4 (2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]-)
![2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]- structure](https://ossimg.kuujia.com/scimg/65500/65401-83-4x500.png)
65401-83-4 structure
Product Name:2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]-
CAS No:65401-83-4
MF:C12H12O4
MW:220.221283912659
CID:511373
PubChem ID:5893006
Update Time:2025-04-19
2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]-
- [2-methoxy-4-(3-oxoprop-1-enyl)phenyl] acetate
- 4-(2-formylvinyl)-2-methoxyphenyl acetate
- 2-methoxy-4-[(1E)-3-oxoprop-1-en-1-yl]phenyl acetate
- CHEBI:86579
- AC1NYVJK
- NS00056142
- 4-acetoxy-3-methoxycinnamaldehyde
- 4-Acetoxy-3-methoxycinnamaldehyde, predominantly trans
- [2-methoxy-4-[(E)-3-oxoprop-1-enyl]phenyl] acetate
- Q27159260
- SCHEMBL3241263
- 83071-67-4
- AKOS024282339
- VEKAJHBFBMWJKI-ONEGZZNKSA-N
- (e)-2-methoxy-4-(3-oxoprop-1-enyl)phenyl acetate
- AM85923
- 2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]-,(2E)-
- ST055640
- (E)-2-methoxy-4-(3-oxoprop-1-en-1-yl)phenyl acetate
- 4-Acetoxy-3-methoxycinnamaldehyde, predominantly trans, 95%
- EINECS 265-733-2
- 4-acetoxy-3-methoxy-trans-cinnamaldehyde
- AC1Q46BZ
- bmse010073
- 65401-83-4
- 2-Propenal, 3-[4-(acetyloxy)-3-methoxyphenyl]-
-
- Inchi： 1S/C12H12O4/c1-9(14)16-11-6-5-10(4-3-7-13)8-12(11)15-2/h3-8H,1-2H3/b4-3+
- InChI Key： VEKAJHBFBMWJKI-ONEGZZNKSA-N
- SMILES： O(C)C1C=C(/C=C/C=O)C=CC=1OC(C)=O
Computed Properties
- Exact Mass: 220.07356
- Monoisotopic Mass: 220.073559
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 272
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 52.6
- XLogP3: 1.5
Experimental Properties
- Density: 1.162
- Boiling Point: 342.7°C at 760 mmHg
- Flash Point: 151.4°C
- Refractive Index: 1.55
- PSA: 52.6
2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]- Related Literature
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
65401-83-4 (2-Propenal,3-[4-(acetyloxy)-3-methoxyphenyl]-) Related Products
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