Cas no 62097-08-9 (1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, 4-ethyl ester)
62097-08-9 structure
Product Name:1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, 4-ethyl ester
CAS No:62097-08-9
MF:C12H15O4
MW:223.245104074478
CID:458225
PubChem ID:71390009
Update Time:2025-04-19
1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, 4-ethyl ester Chemical and Physical Properties
Names and Identifiers
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- 1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, 4-ethyl ester
- 4-ethenyl-4-ethoxycarbonylcyclohexene-1-carboxylate
- 4-Ethenyl-4-(ethoxycarbonyl)cyclohex-1-ene-1-carboxylate
- DTXSID40811950
- 62097-08-9
-
- Inchi： 1S/C12H16O4/c1-3-12(11(15)16-4-2)7-5-9(6-8-12)10(13)14/h3,5H,1,4,6-8H2,2H3,(H,13,14)/p-1
- InChI Key： PYUBNFLFXHAFBC-UHFFFAOYSA-M
- SMILES： O(CC)C(C1(C=C)CC=C(C(=O)[O-])CC1)=O
Computed Properties
- Exact Mass: 223.09705
- Monoisotopic Mass: 223.09703396g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 337
- 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: 66.4?2
Experimental Properties
- PSA: 66.43
1-Cyclohexene-1,4-dicarboxylic acid, 4-ethenyl-, 4-ethyl ester Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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