Cas no 650622-12-1 (1,2,4,5-Cyclohexanetetracarboxylic acid, 3-methyl-)
650622-12-1 structure
Product Name:1,2,4,5-Cyclohexanetetracarboxylic acid, 3-methyl-
CAS No:650622-12-1
MF:C11H14O8
MW:274.224064350128
CID:408598
PubChem ID:71377360
Update Time:2025-04-19
1,2,4,5-Cyclohexanetetracarboxylic acid, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4,5-Cyclohexanetetracarboxylic acid, 3-methyl-
- 3-methylcyclohexane-1,2,4,5-tetracarboxylic acid
- DTXSID40800001
- 650622-12-1
-
- Inchi： 1S/C11H14O8/c1-3-6(10(16)17)4(8(12)13)2-5(9(14)15)7(3)11(18)19/h3-7H,2H2,1H3,(H,12,13)(H,14,15)(H,16,17)(H,18,19)
- InChI Key： ABJQOQWINPBNDQ-UHFFFAOYSA-N
- SMILES： OC(C1C(C(=O)O)CC(C(=O)O)C(C(=O)O)C1C)=O
Computed Properties
- Exact Mass: 274.06882
- Monoisotopic Mass: 274.06886740g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 4
- Complexity: 390
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.7
- Topological Polar Surface Area: 149?2
Experimental Properties
- PSA: 149.2
1,2,4,5-Cyclohexanetetracarboxylic acid, 3-methyl- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
650622-12-1 (1,2,4,5-Cyclohexanetetracarboxylic acid, 3-methyl-) Related Products
- 610-09-3(cis-1,2-Cyclohexanedicarboxylic acid)
- 874-61-3(4-oxocyclohexane-1-carboxylic acid)
- 619-81-8(Cis-1,2-Cyclohexanedicarboxylic Acid)
- 97-61-0(2-Methyl-pentanoic Acid)
- 88-09-5(2-Ethylbutyric acid)
- 498-21-5(Methylsuccinic acid)
- 681-57-2(2,2-Dimethylglutaric acid)
- 619-82-9(trans-cyclohexane-1,4-dicarboxylic acid)
- 828-51-3(Adamantane-1-carboxylic acid)
- 99-66-1(Valproic acid)
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