Cas no 87345-53-7 (2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-)
87345-53-7 structure
Product Name:2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-
CAS No:87345-53-7
MF:C11H12O4
MW:208.210583686829
CID:657283
PubChem ID:119216
Update Time:2025-04-19
2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-
- Q2288772
- DTXSID201016569
- 3,5-dimethoxy-4 hydroxycinnamaldehyde
- CDICDSOGTRCHMG-UHFFFAOYSA-N
- 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
- FT-0714545
- 87345-53-7
- Sinapic aldehyde
- trans-sinapoyl aldehyde
- Sinapoyl aldehyde
- (E)-sinapoyl aldehyde
- Sinapaldehyde
- (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal
- sinapyl aldehyde
- Sinapinaldehyde
- (2E)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde
-
- Inchi： 1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3
- InChI Key： CDICDSOGTRCHMG-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=CC=O)C=C(C=1O)OC
Computed Properties
- Exact Mass: 208.07355886g/mol
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 213
- 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: 1.4
- Topological Polar Surface Area: 55.8?2
2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
87345-53-7 (2-Propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-) Related Products
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- 458-36-6(Coniferaldehyde)
- 20649-43-8((E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)acrylaldehyde)
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