Cas no 105836-76-8 (4-(Carboxymethyl)cyclohexane-1-carboxylic acid)
105836-76-8 structure
Product Name:4-(Carboxymethyl)cyclohexane-1-carboxylic acid
CAS No:105836-76-8
MF:C9H14O4
MW:186.205063343048
CID:4679135
Update Time:2023-08-14
4-(Carboxymethyl)cyclohexane-1-carboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 4-(Carboxymethyl)cyclohexanecarboxylic acid
- 4-(carboxymethyl)cyclohexane-1-carboxylic acid
- FCH1189888
- BB 0262225
- 4-(Carboxymethyl)cyclohexane-1-carboxylic acid
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- Inchi： 1S/C9H14O4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h6-7H,1-5H2,(H,10,11)(H,12,13)
- InChI Key： QGKVYFAUKUVYKF-UHFFFAOYSA-N
- SMILES： OC(C1CCC(CC(=O)O)CC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 204
- Topological Polar Surface Area: 74.6
Experimental Properties
- Density: 1.2±0.1 g/cm3
- Boiling Point: 398.2±15.0 °C at 760 mmHg
- Flash Point: 208.8±16.9 °C
- Vapor Pressure: 0.0±2.0 mmHg at 25°C
4-(Carboxymethyl)cyclohexane-1-carboxylic acid Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(Carboxymethyl)cyclohexane-1-carboxylic acid Related Literature
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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