Cas no 69425-31-6 (1,1,2,3-Propanetetracarboxylic acid, tetrabutyl ester)
69425-31-6 structure
Product Name:1,1,2,3-Propanetetracarboxylic acid, tetrabutyl ester
CAS No:69425-31-6
MF:C23H40O8
MW:444.558908462524
CID:391804
PubChem ID:20478063
Update Time:2025-04-19
1,1,2,3-Propanetetracarboxylic acid, tetrabutyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,1,2,3-Propanetetracarboxylic acid, tetrabutyl ester
- tetrabutyl propane-1,1,2,3-tetracarboxylate
- SCHEMBL11196139
- 69425-31-6
- BSADOOZDZLORES-UHFFFAOYSA-N
- DTXSID90607744
-
- Inchi： 1S/C23H40O8/c1-5-9-13-28-19(24)17-18(21(25)29-14-10-6-2)20(22(26)30-15-11-7-3)23(27)31-16-12-8-4/h18,20H,5-17H2,1-4H3
- InChI Key： BSADOOZDZLORES-UHFFFAOYSA-N
- SMILES： O(CCCC)C(C(CC(=O)OCCCC)C(C(=O)OCCCC)C(=O)OCCCC)=O
Computed Properties
- Exact Mass: 444.2724
- Monoisotopic Mass: 444.27231823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 31
- Rotatable Bond Count: 22
- Complexity: 510
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.9
- Topological Polar Surface Area: 105?2
Experimental Properties
- PSA: 105.2
1,1,2,3-Propanetetracarboxylic acid, tetrabutyl ester Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
69425-31-6 (1,1,2,3-Propanetetracarboxylic acid, tetrabutyl ester) Related Products
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