Cas no 109282-40-8 (7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, monoethyl ester, (exo,exo)- (9CI))
109282-40-8 structure
Product Name:7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, monoethyl ester, (exo,exo)- (9CI)
CAS No:109282-40-8
MF:C10H14O5
MW:214.215163707733
CID:160369
PubChem ID:176109
Update Time:2025-04-19
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, monoethyl ester, (exo,exo)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, monoethyl ester, (exo,exo)- (9CI)
- 109282-40-8
- 7-Oxabicyclo(2.2.1)heptane-2,3-dicarboxylic acid, monoethyl ester, (exo,exo)-
- 3-(Ethoxycarbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
- (exo,exo)-Monoethyl 7-oxabicyclo(2.2.1)heptane-2,3-dicarboxylate
- DTXSID60911082
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- Inchi: 1S/C10H14O5/c1-2-14-10(13)8-6-4-3-5(15-6)7(8)9(11)12/h5-8H,2-4H2,1H3,(H,11,12)/t5-,6+,7+,8-/m1/s1
- InChI Key: LVRCGKQYGUKJKS-VGRMVHKJSA-N
- SMILES: O1[C@@H]2CC[C@H]1[C@@H](C(=O)OCC)[C@H]2C(=O)O
Computed Properties
- Exact Mass: 214.084
- Monoisotopic Mass: 214.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 288
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 4
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.317
- Boiling Point: 350.3°C at 760 mmHg
- Flash Point: 137.9°C
- Refractive Index: 1.514
7-Oxabicyclo[2.2.1]heptane-2,3-dicarboxylicacid, monoethyl ester, (exo,exo)- (9CI) Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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