Cas no 650622-23-4 (1,2,4-Cyclohexanetricarboxylic acid, tributyl ester)
650622-23-4 structure
Product Name:1,2,4-Cyclohexanetricarboxylic acid, tributyl ester
CAS No:650622-23-4
MF:C21H36O6
MW:384.506947517395
CID:408595
PubChem ID:23444010
Update Time:2025-04-19
1,2,4-Cyclohexanetricarboxylic acid, tributyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Cyclohexanetricarboxylic acid, tributyl ester
- tributyl cyclohexane-1,2,4-tricarboxylate
- DTXSID10634198
- 650622-23-4
- SCHEMBL1297767
-
- Inchi： 1S/C21H36O6/c1-4-7-12-25-19(22)16-10-11-17(20(23)26-13-8-5-2)18(15-16)21(24)27-14-9-6-3/h16-18H,4-15H2,1-3H3
- InChI Key： HUTIXMKLGMBSPG-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C1CC(C(=O)OCCCC)CCC1C(=O)OCCCC)=O
Computed Properties
- Exact Mass: 384.25128
- Monoisotopic Mass: 384.25118886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 27
- Rotatable Bond Count: 15
- Complexity: 462
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.4
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
1,2,4-Cyclohexanetricarboxylic acid, tributyl ester Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
650622-23-4 (1,2,4-Cyclohexanetricarboxylic acid, tributyl ester) Related Products
- 4630-82-4(Methyl cyclohexanecarboxylate)
- 10032-15-2(Hexyl 2-methylbutanoate)
- 103-23-1(Bis(2-ethylhexyl)adipate)
- 13149-00-3((3aR,7aS)-rel-Hexahydro-1,3-isobenzofurandione)
- 7452-79-1(Ethyl 2-methylbutyrate)
- 94-60-0(Dimethyl Cyclohexane-1,4-dicarboxylate(1,4-Cyclohexanedicarboxylic Dimethyl Ester))
- 18268-70-7(3,6,9-Trioxaundecamethylenebis-(2-ethylhexanoate))
- 85-42-7(octahydro-2-benzofuran-1,3-dione)
- 14924-53-9(Ethyl cyclobutanecarboxylate)
- 1687-29-2(Dimethyl cis-1,2-Cyclohexanedicarboxylate)
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