Cas no 51335-73-0 (1,3-Dioxane-5,5-dicarboxylic acid, diethyl ester)
51335-73-0 structure
Product Name:1,3-Dioxane-5,5-dicarboxylic acid, diethyl ester
CAS No:51335-73-0
MF:C10H16O6
MW:232.230443954468
CID:362517
PubChem ID:15130482
Update Time:2025-04-19
1,3-Dioxane-5,5-dicarboxylic acid, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-5,5-dicarboxylic acid, diethyl ester
- diethyl 1,3-dioxane-5,5-dicarboxylate
- 51335-73-0
- [1,3]dioxane-5,5-dicarboxylic acid diethyl ester
- SCHEMBL1173871
- DTXSID00568695
-
- Inchi： 1S/C10H16O6/c1-3-15-8(11)10(9(12)16-4-2)5-13-7-14-6-10/h3-7H2,1-2H3
- InChI Key： NEYIRNXLWXSWAM-UHFFFAOYSA-N
- SMILES： O1COCC(C(=O)OCC)(C(=O)OCC)C1
Computed Properties
- Exact Mass: 232.09468
- Monoisotopic Mass: 232.09468823g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 236
- 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: 0.3
- Topological Polar Surface Area: 71.1?2
Experimental Properties
- PSA: 71.06
1,3-Dioxane-5,5-dicarboxylic acid, diethyl ester Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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