Cas no 111324-41-5 (Pentanetricarboxylic acid)
Pentanetricarboxylic acid structure
Product Name:Pentanetricarboxylic acid
CAS No:111324-41-5
MF:C8H12O6
MW:204.177283287048
CID:1197358
PubChem ID:19386814
Update Time:2025-04-20
Pentanetricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- Pentanetricarboxylic acid
- pentane-1,1,1-tricarboxylic acid
- DTXSID70598585
- 111324-41-5
- SCHEMBL543959
- pentanetricarboxylic
-
- Inchi： 1S/C8H12O6/c1-2-3-4-8(5(9)10,6(11)12)7(13)14/h2-4H2,1H3,(H,9,10)(H,11,12)(H,13,14)
- InChI Key： IKIZWKVZMQYKLC-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)(C(=O)O)CCCC)=O
Computed Properties
- Exact Mass: 204.06336
- Monoisotopic Mass: 204.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 221
- 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
- XLogP3: 1.1
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
Pentanetricarboxylic acid Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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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
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
111324-41-5 (Pentanetricarboxylic acid) Related Products
- 5445-51-2(cyclobutane-1,1-dicarboxylic acid)
- 10097-02-6(2,2-Bis(hydroxymethyl)butanoic acid)
- 5660-81-1(Cyclopentylmalonic acid)
- 24779-68-8(2-(adamantan-1-yl)propanedioic acid)
- 534-59-8(Butylmalonic acid)
- 598-10-7(Cyclopropane-1,1-dicarboxylic 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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