Cas no 405914-62-7 (Butane-1,1,1-tricarboxylic acid)
405914-62-7 structure
Product Name:Butane-1,1,1-tricarboxylic acid
CAS No:405914-62-7
MF:C7H10O6
MW:190.150702953339
CID:2633155
PubChem ID:17980400
Update Time:2025-04-21
Butane-1,1,1-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- butane-1,1,1-tricarboxylic acid
- DTXSID10591898
- 405914-62-7
- DTXCID50542662
- Butanetricarboxylic acid
- SCHEMBL375735
- Butane-1,1,1-tricarboxylic acid
-
- Inchi： 1S/C7H10O6/c1-2-3-7(4(8)9,5(10)11)6(12)13/h2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)
- InChI Key： ZNFNDZCXTPWRLQ-UHFFFAOYSA-N
- SMILES： OC(C(C(=O)O)(C(=O)O)CCC)=O
Computed Properties
- Exact Mass: 190.04773803Da
- Monoisotopic Mass: 190.04773803Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 207
- 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: 0.5
- Topological Polar Surface Area: 112?2
Butane-1,1,1-tricarboxylic acid Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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