Cas no 64365-96-4 (Hexanedioic acid, ester with 1,2-ethanediol)
64365-96-4 structure
Product Name:Hexanedioic acid, ester with 1,2-ethanediol
CAS No:64365-96-4
MF:C8H16O6
MW:208.209043502808
CID:1681925
PubChem ID:6454865
Update Time:2025-04-21
Hexanedioic acid, ester with 1,2-ethanediol Chemical and Physical Properties
Names and Identifiers
-
- Hexanedioic acid, ester with 1,2-ethanediol
- ethane-1,2-diol,hexanedioic acid
- FZWBABZIGXEXES-UHFFFAOYSA-N
- ethane-1,2-diol;hexanedioic acid
- DTXSID80214582
- 64365-96-4
- Molecular Weight: ~ 1000
- 24938-37-2
- EINECS 264-851-1
- SCHEMBL206256
-
- Inchi： 1S/C6H10O4.C2H6O2/c7-5(8)3-1-2-4-6(9)10;3-1-2-4/h1-4H2,(H,7,8)(H,9,10);3-4H,1-2H2
- InChI Key： FZWBABZIGXEXES-UHFFFAOYSA-N
- SMILES： OC(CCCCC(=O)O)=O.OCCO
Computed Properties
- Exact Mass: 208.09468823g/mol
- Monoisotopic Mass: 208.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 120
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 115?2
Hexanedioic acid, ester with 1,2-ethanediol Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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