Cas no 695216-03-6 (1,3-Benzenedicarboxylic acid, 5-[(2E)-2-butenyloxy]-, dimethyl ester)
![1,3-Benzenedicarboxylic acid, 5-[(2E)-2-butenyloxy]-, dimethyl ester structure](https://ossimg.kuujia.com/scimg/695500/695216-03-6x500.png)
695216-03-6 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-[(2E)-2-butenyloxy]-, dimethyl ester
CAS No:695216-03-6
MF:C14H16O5
MW:264.273844718933
CID:391670
PubChem ID:71374412
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, 5-[(2E)-2-butenyloxy]-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-[(2E)-2-butenyloxy]-, dimethyl ester
- dimethyl 5-but-2-enoxybenzene-1,3-dicarboxylate
- Dimethyl 5-[(but-2-en-1-yl)oxy]benzene-1,3-dicarboxylatato
- 695216-03-6
- DTXSID50797195
-
- Inchi： 1S/C14H16O5/c1-4-5-6-19-12-8-10(13(15)17-2)7-11(9-12)14(16)18-3/h4-5,7-9H,6H2,1-3H3
- InChI Key： PHRBUTYBMIJSCT-UHFFFAOYSA-N
- SMILES： O(CC=CC)C1C=C(C(=O)OC)C=C(C(=O)OC)C=1
Computed Properties
- Exact Mass: 264.09978
- Monoisotopic Mass: 264.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 313
- 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: 2.5
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.83
1,3-Benzenedicarboxylic acid, 5-[(2E)-2-butenyloxy]-, dimethyl ester Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
695216-03-6 (1,3-Benzenedicarboxylic acid, 5-[(2E)-2-butenyloxy]-, dimethyl ester) Related Products
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