Cas no 58683-54-8 (1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, diethyl ester)
58683-54-8 structure
Product Name:1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, diethyl ester
CAS No:58683-54-8
MF:C14H20O4
MW:252.306204795837
CID:341254
PubChem ID:12921737
Update Time:2025-04-19
1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, diethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, diethyl ester
- diethyl 4-ethenylcyclohexene-1,4-dicarboxylate
- Diethyl 4-ethenylcyclohex-1-ene-1,4-dicarboxylate
- 58683-54-8
- DTXSID60513040
-
- Inchi： 1S/C14H20O4/c1-4-14(13(16)18-6-3)9-7-11(8-10-14)12(15)17-5-2/h4,7H,1,5-6,8-10H2,2-3H3
- InChI Key： ZVPSBJRLPNIGMU-UHFFFAOYSA-N
- SMILES： O(CC)C(C1(C=C)CC=C(C(=O)OCC)CC1)=O
Computed Properties
- Exact Mass: 252.1362
- Monoisotopic Mass: 252.13615911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 7
- Complexity: 370
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, diethyl ester Related Literature
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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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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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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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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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