Cas no 62911-30-2 (3,3-Diethyl 1-methyl butane-1,3,3-tricarboxylate)
62911-30-2 structure
Product Name:3,3-Diethyl 1-methyl butane-1,3,3-tricarboxylate
CAS No:62911-30-2
MF:C12H20O6
MW:260.283604621887
CID:2789242
PubChem ID:71373652
Update Time:2025-04-21
3,3-Diethyl 1-methyl butane-1,3,3-tricarboxylate Chemical and Physical Properties
Names and Identifiers
-
- DTXCID70747213
- 62911-30-2
- 3,3-Diethyl 1-methyl butane-1,3,3-tricarboxylate
- DTXSID40796470
-
- Inchi： 1S/C12H20O6/c1-5-17-10(14)12(3,11(15)18-6-2)8-7-9(13)16-4/h5-8H2,1-4H3
- InChI Key： RZDSMQUDPLEXGQ-UHFFFAOYSA-N
- SMILES： O(CC)C(C(C(=O)OCC)(C)CCC(=O)OC)=O
Computed Properties
- Exact Mass: 260.12598835Da
- Monoisotopic Mass: 260.12598835Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 10
- Complexity: 292
- 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: 1.4
- Topological Polar Surface Area: 78.9?2
3,3-Diethyl 1-methyl butane-1,3,3-tricarboxylate Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
62911-30-2 (3,3-Diethyl 1-methyl butane-1,3,3-tricarboxylate) Related Products
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