Cas no 130598-06-0 (1,2-Cyclohexanedicarboxylicacid, 3-(2-furanyl)-5-oxo-)
130598-06-0 structure
Product Name:1,2-Cyclohexanedicarboxylicacid, 3-(2-furanyl)-5-oxo-
CAS No:130598-06-0
MF:C12H12O6
MW:252.220084190369
CID:150634
PubChem ID:3076261
Update Time:2025-04-19
1,2-Cyclohexanedicarboxylicacid, 3-(2-furanyl)-5-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Cyclohexanedicarboxylicacid, 3-(2-furanyl)-5-oxo-
- 3-(furan-2-yl)-5-oxocyclohexane-1,2-dicarboxylic acid
- 1,2-Cyclohexanedicarboxylic acid, 3-(2-furanyl)-5-oxo-
- DTXSID00926817
- 3-(2-Furanyl)-5-oxo-1,2-cyclohexanedicarboxylic acid
- 130598-06-0
-
- Inchi： 1S/C12H12O6/c13-6-4-7(9-2-1-3-18-9)10(12(16)17)8(5-6)11(14)15/h1-3,7-8,10H,4-5H2,(H,14,15)(H,16,17)
- InChI Key： RLBGCGZFKPFZGO-UHFFFAOYSA-N
- SMILES： O1C=CC=C1C1CC(CC(C(=O)O)C1C(=O)O)=O
Computed Properties
- Exact Mass: 252.06336
- Monoisotopic Mass: 252.063388
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 377
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 105
- XLogP3: -0.4
Experimental Properties
- Density: 1.445
- Boiling Point: 527.8°Cat760mmHg
- Flash Point: 273°C
- Refractive Index: 1.564
- PSA: 104.81
1,2-Cyclohexanedicarboxylicacid, 3-(2-furanyl)-5-oxo- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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