Cas no 70184-67-7 (1,1,4-Butanetricarboxylicacid, 3-oxo-, 1,1,4-triethyl ester)
70184-67-7 structure
Product Name:1,1,4-Butanetricarboxylicacid, 3-oxo-, 1,1,4-triethyl ester
CAS No:70184-67-7
MF:C13H20O7
MW:288.293704986572
CID:581530
PubChem ID:334508
Update Time:2025-04-19
1,1,4-Butanetricarboxylicacid, 3-oxo-, 1,1,4-triethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,1,4-Butanetricarboxylicacid, 3-oxo-, 1,1,4-triethyl ester
- triethyl 3-oxobutane-1,1,4-tricarboxylate
- AC1L7FJ2
- Diethyl-5-ethoxycarbonyl-3-oxohexandioat
- NSC339907
- NSC-339907
- 70184-67-7
- DTXSID40319108
-
- Inchi： 1S/C13H20O7/c1-4-18-11(15)8-9(14)7-10(12(16)19-5-2)13(17)20-6-3/h10H,4-8H2,1-3H3
- InChI Key： GEHJNNGHMXIACX-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)CC(CC(=O)OCC)=O)=O
Computed Properties
- Exact Mass: 288.1209
- Monoisotopic Mass: 288.121
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 12
- Complexity: 344
- 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: 0.9
- Topological Polar Surface Area: 96?2
Experimental Properties
- Density: 1.148
- Boiling Point: 372.4°Cat760mmHg
- Flash Point: 161.9°C
- Refractive Index: 1.45
- PSA: 95.97
- LogP: 0.64120
1,1,4-Butanetricarboxylicacid, 3-oxo-, 1,1,4-triethyl ester Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
70184-67-7 (1,1,4-Butanetricarboxylicacid, 3-oxo-, 1,1,4-triethyl ester) Related Products
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