Cas no 4435-38-5 (1,1,4,4-butanetetracarboxylic acid)
4435-38-5 structure
Product Name:1,1,4,4-butanetetracarboxylic acid
1,1,4,4-butanetetracarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 1,1,4,4-butanetetracarboxylic acid
- butane-1,1,4,4-tetracarboxylic acid
- 1,1,4,4-tetracarboxy-butane
- SCHEMBL28123
- 4435-38-5
- DTXSID10196145
- 1,1,4,4-Btca
-
- Inchi： 1S/C8H10O8/c9-5(10)3(6(11)12)1-2-4(7(13)14)8(15)16/h3-4H,1-2H2,(H,9,10)(H,11,12)(H,13,14)(H,15,16)
- InChI Key： CZORBZCFAPGTNL-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)CCC(C(=O)O)C(=O)O)=O
Computed Properties
- Exact Mass: 234.0375
- Monoisotopic Mass: 234.03756727g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 16
- Rotatable Bond Count: 7
- Complexity: 260
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: -0.5
- Topological Polar Surface Area: 149?2
Experimental Properties
- PSA: 149.2
1,1,4,4-butanetetracarboxylic acid Related Literature
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
4435-38-5 (1,1,4,4-butanetetracarboxylic acid) Related Products
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- 1127-08-8(CYCLOHEXANE-1,1-DICARBOXYLIC ACID)
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