Cas no 674786-71-1 (4-Pentene-1,2,2-tricarboxylic acid, triethyl ester)
674786-71-1 structure
Product Name:4-Pentene-1,2,2-tricarboxylic acid, triethyl ester
CAS No:674786-71-1
MF:C14H22O6
MW:286.320885181427
CID:394773
PubChem ID:71374833
Update Time:2025-04-19
4-Pentene-1,2,2-tricarboxylic acid, triethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Pentene-1,2,2-tricarboxylic acid, triethyl ester
- triethyl pent-4-ene-1,2,2-tricarboxylate
- 674786-71-1
- DTXSID10797595
-
- Inchi: 1S/C14H22O6/c1-5-9-14(12(16)19-7-3,13(17)20-8-4)10-11(15)18-6-2/h5H,1,6-10H2,2-4H3
- InChI Key: KTHNUEXPNSPJDO-UHFFFAOYSA-N
- SMILES: O(CC)C(C(C(=O)OCC)(CC=C)CC(=O)OCC)=O
Computed Properties
- Exact Mass: 286.14166
- Monoisotopic Mass: 286.14163842g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 343
- 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: 2
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
4-Pentene-1,2,2-tricarboxylic acid, triethyl ester Related Literature
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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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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
674786-71-1 (4-Pentene-1,2,2-tricarboxylic acid, triethyl ester) Related Products
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- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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