Cas no 610-10-6 (1,2-Cyclohexanedicarboxylic acid, trans-(±)-)
610-10-6 structure
Product Name:1,2-Cyclohexanedicarboxylic acid, trans-(±)-
CAS No:610-10-6
MF:C8H12O4
MW:172.178483009338
CID:4064669
Update Time:2025-04-22
1,2-Cyclohexanedicarboxylic acid, trans-(±)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Cyclohexanedicarboxylic acid, trans-(±)-
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- Inchi： 1S/C8H12O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)/t5-,6-/m1/s1
- InChI Key： QSAWQNUELGIYBC-PHDIDXHHSA-N
- SMILES： [C@@H]1(C(O)=O)CCCC[C@H]1C(O)=O
Computed Properties
- Exact Mass: 172.074
- Monoisotopic Mass: 172.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 177
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 74.6A^2
Experimental Properties
- Density: 1.314
- Melting Point: 184 °C
- Boiling Point: 384.1 °C at 760 mmHg
- Flash Point: 200.3 °C
- Refractive Index: 18 ° (C=1, Acetone)
- PSA: 74.60000
- LogP: 0.96200
1,2-Cyclohexanedicarboxylic acid, trans-(±)- Related Literature
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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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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