Cas no 33672-94-5 (1,2-Benzenedicarboxylicacid, 1-ethyl 2-(2-propen-1-yl) ester)
33672-94-5 structure
Product Name:1,2-Benzenedicarboxylicacid, 1-ethyl 2-(2-propen-1-yl) ester
CAS No:33672-94-5
MF:C13H14O4
MW:234.247864246368
CID:294414
PubChem ID:590783
Update Time:2025-04-19
1,2-Benzenedicarboxylicacid, 1-ethyl 2-(2-propen-1-yl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylicacid, 1-ethyl 2-(2-propen-1-yl) ester
- Ethylallylphthalate
- 1-O-ethyl 2-O-prop-2-enyl benzene-1,2-dicarboxylate
- SCHEMBL11799975
- DTXSID10343596
- 1-Allyl 2-ethyl phthalate #
- Phthalic acid, allyl ethyl ester
- 33672-94-5
- UPBGNLFFUITRLL-UHFFFAOYSA-N
-
- Inchi： 1S/C13H14O4/c1-3-9-17-13(15)11-8-6-5-7-10(11)12(14)16-4-2/h3,5-8H,1,4,9H2,2H3
- InChI Key： UPBGNLFFUITRLL-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=CC=1C(=O)OCC=C)=O
Computed Properties
- Exact Mass: 234.08922
- Monoisotopic Mass: 234.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 7
- Complexity: 285
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,2-Benzenedicarboxylicacid, 1-ethyl 2-(2-propen-1-yl) ester Related Literature
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
33672-94-5 (1,2-Benzenedicarboxylicacid, 1-ethyl 2-(2-propen-1-yl) ester) Related Products
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