Cas no 278777-48-3 (2-(Butanoyloxy)propane-1,2,3-tricarboxylic acid)
278777-48-3 structure
Product Name:2-(Butanoyloxy)propane-1,2,3-tricarboxylic acid
CAS No:278777-48-3
MF:C10H14O8
MW:262.213364124298
CID:2838989
Update Time:2023-08-07
2-(Butanoyloxy)propane-1,2,3-tricarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 2-(Butanoyloxy)propane-1,2,3-tricarboxylic acid
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- Inchi： 1S/C10H14O8/c1-2-3-8(15)18-10(9(16)17,4-6(11)12)5-7(13)14/h2-5H2,1H3,(H,11,12)(H,13,14)(H,16,17)
- InChI Key： IPJYAQLGXSFZPA-UHFFFAOYSA-N
- SMILES： O(C(CCC)=O)C(C(=O)O)(CC(=O)O)CC(=O)O
Computed Properties
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 18
- Rotatable Bond Count: 9
- Complexity: 343
- XLogP3: -0.6
- Topological Polar Surface Area: 138
2-(Butanoyloxy)propane-1,2,3-tricarboxylic acid Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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