Cas no 6670-44-6 (4,4-bis(carboxymethyl)cyclohexanecarboxylic acid)
6670-44-6 structure
Product Name:4,4-bis(carboxymethyl)cyclohexanecarboxylic acid
CAS No:6670-44-6
MF:C11H16O6
MW:244.241144180298
CID:1718555
PubChem ID:5226382
Update Time:2025-04-21
4,4-bis(carboxymethyl)cyclohexanecarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4,4-bis(carboxymethyl)cyclohexanecarboxylic acid
- 4,4-bis(carboxymethyl)cyclohexane-1-carboxylic acid
- 6670-44-6
- DTXSID10411461
- SCHEMBL2870169
- 4-carboxy-1,1-cyclohexanediacetic acid
- 10428-80-5
- 2,2'-(4-Carboxycyclohexane-1,1-diyl)diacetic acid
- AKOS024337485
-
- Inchi： 1S/C11H16O6/c12-8(13)5-11(6-9(14)15)3-1-7(2-4-11)10(16)17/h7H,1-6H2,(H,12,13)(H,14,15)(H,16,17)
- InChI Key： FJPATRZRCOLKEC-UHFFFAOYSA-N
- SMILES： OC(C1CCC(CC(=O)O)(CC(=O)O)CC1)=O
Computed Properties
- Exact Mass: 244.09468
- Monoisotopic Mass: 244.094688
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 309
- 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
- Topological Polar Surface Area: 112
- XLogP3: 0.4
Experimental Properties
- Density: 1.345
- Boiling Point: 531.1°C at 760 mmHg
- Flash Point: 289.1°C
- Refractive Index: 1.523
- PSA: 111.9
4,4-bis(carboxymethyl)cyclohexanecarboxylic acid Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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