Cas no 477800-91-2 (2,3,5-Trimethoxy-6-(prop-1-en-1-yl)cyclohexa-2,5-diene-1,4-dione)
477800-91-2 structure
Product Name:2,3,5-Trimethoxy-6-(prop-1-en-1-yl)cyclohexa-2,5-diene-1,4-dione
CAS No:477800-91-2
MF:C12H14O5
MW:238.236564159393
CID:2646682
PubChem ID:71362855
Update Time:2025-04-21
2,3,5-Trimethoxy-6-(prop-1-en-1-yl)cyclohexa-2,5-diene-1,4-dione Chemical and Physical Properties
Names and Identifiers
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- 2,3,5-trimethoxy-6-prop-1-enylcyclohexa-2,5-diene-1,4-dione
- DTXSID00786458
- 2,3,5-Trimethoxy-6-(prop-1-en-1-yl)cyclohexa-2,5-diene-1,4-dione
- 477800-91-2
- DTXCID80737201
-
- Inchi： 1S/C12H14O5/c1-5-6-7-8(13)11(16-3)12(17-4)9(14)10(7)15-2/h5-6H,1-4H3
- InChI Key： RTBKABKNDSZTIA-UHFFFAOYSA-N
- SMILES： O(C)C1C(C(=C(C(C=1C=CC)=O)OC)OC)=O
Computed Properties
- Exact Mass: 238.08412354g/mol
- Monoisotopic Mass: 238.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 440
- 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: 1.2
- Topological Polar Surface Area: 61.8?2
2,3,5-Trimethoxy-6-(prop-1-en-1-yl)cyclohexa-2,5-diene-1,4-dione Related Literature
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Tanya Ostapenko,Peter J. Collings,Samuel N. Sprunt,J. T. Gleeson Soft Matter, 2013,9, 9487-9498
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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
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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