Cas no 5077-84-9 (1,1,2-Dodecanetricarboxylic acid)
5077-84-9 structure
Product Name:1,1,2-Dodecanetricarboxylic acid
CAS No:5077-84-9
MF:C15H26O6
MW:302.363345623016
CID:364085
PubChem ID:19065841
Update Time:2025-04-19
1,1,2-Dodecanetricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1,1,2-Dodecanetricarboxylic acid
- dodecane-1,1,2-tricarboxylic acid
- 5077-84-9
- DTXSID30597756
- SCHEMBL7009211
-
- Inchi: 1S/C15H26O6/c1-2-3-4-5-6-7-8-9-10-11(13(16)17)12(14(18)19)15(20)21/h11-12H,2-10H2,1H3,(H,16,17)(H,18,19)(H,20,21)
- InChI Key: ZQCLWWICOFQTLX-UHFFFAOYSA-N
- SMILES: OC(C(C(C(=O)O)C(=O)O)CCCCCCCCCC)=O
Computed Properties
- Exact Mass: 302.17298
- Monoisotopic Mass: 302.17293854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 13
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.3
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
1,1,2-Dodecanetricarboxylic acid Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
5077-84-9 (1,1,2-Dodecanetricarboxylic acid) Related Products
- 72604-79-6((R)-2-(Hydroxymethyl)butanoic acid)
- 616-62-6(2-Propylmalonic acid)
- 5445-51-2(cyclobutane-1,1-dicarboxylic acid)
- 5660-81-1(Cyclopentylmalonic acid)
- 24779-68-8(2-(adamantan-1-yl)propanedioic acid)
- 534-59-8(Butylmalonic acid)
- 601-79-6(2-Isopropylmalonic Acid)
- 1636-27-7(2,2-Dipropylmalonic Acid)
- 601-75-2(Ethylmalonic acid)
- 1127-08-8(CYCLOHEXANE-1,1-DICARBOXYLIC ACID)
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