Cas no 62359-95-9 (1,3-Pentalenedicarboxylic acid, octahydro-2,5-dioxo-, diethyl ester)
62359-95-9 structure
Product Name:1,3-Pentalenedicarboxylic acid, octahydro-2,5-dioxo-, diethyl ester
CAS No:62359-95-9
MF:C14H18O6
MW:282.289124965668
CID:447977
PubChem ID:12914184
Update Time:2025-04-19
1,3-Pentalenedicarboxylic acid, octahydro-2,5-dioxo-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Pentalenedicarboxylic acid, octahydro-2,5-dioxo-, diethyl ester
- diethyl 2,5-dioxo-1,3,3a,4,6,6a-hexahydropentalene-1,3-dicarboxylate
- 2,4-Bisethoxycarbonylbicyclo[3.3.0]octane-3,7-dione
- 62359-95-9
- 2,4-bisethoxycarbonylbicyclo[3.3.0]-octane-3,7-dione
- DTXSID50512820
- NLIHRRNEAZWYNS-UHFFFAOYSA-N
- Diethyl 2,5-dioxooctahydropentalene-1,3-dicarboxylate
- SCHEMBL9636564
-
- Inchi： 1S/C14H18O6/c1-3-19-13(17)10-8-5-7(15)6-9(8)11(12(10)16)14(18)20-4-2/h8-11H,3-6H2,1-2H3
- InChI Key： NLIHRRNEAZWYNS-UHFFFAOYSA-N
- SMILES： O=C1C(C(=O)OCC)C2CC(CC2C1C(=O)OCC)=O
Computed Properties
- Exact Mass: 282.11034
- Monoisotopic Mass: 282.11033829g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 6
- Complexity: 417
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 86.7?2
Experimental Properties
- PSA: 86.74
1,3-Pentalenedicarboxylic acid, octahydro-2,5-dioxo-, diethyl ester Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
62359-95-9 (1,3-Pentalenedicarboxylic acid, octahydro-2,5-dioxo-, diethyl ester) Related Products
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