Cas no 178461-68-2 (2-Furancarboxylic acid,tetrahydro-, 1-methylethyl ester, (R)- (9CI))
178461-68-2 structure
Product Name:2-Furancarboxylic acid,tetrahydro-, 1-methylethyl ester, (R)- (9CI)
CAS No:178461-68-2
MF:C8H14O3
MW:158.194962978363
CID:112892
Update Time:2024-01-24
2-Furancarboxylic acid,tetrahydro-, 1-methylethyl ester, (R)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2-Furancarboxylic acid,tetrahydro-, 1-methylethyl ester, (R)- (9CI)
- 2-Furancarboxylicacid,tetrahydro-,1-methylethylester,(R)-(9CI)
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- Inchi： 1S/C8H14O3/c1-6(2)11-8(9)7-4-3-5-10-7/h6-7H,3-5H2,1-2H3/t7-/m1/s1
- InChI Key： DGZOZONCGXAPDH-SSDOTTSWSA-N
- SMILES： O1CCC[C@@H]1C(OC(C)C)=O
Computed Properties
- Exact Mass: 158.09432
- Monoisotopic Mass: 158.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 142
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.5A^2
Experimental Properties
- Density: 1.049±0.06 g/cm3(Predicted)
- Boiling Point: 195.2±23.0 °C(Predicted)
- PSA: 35.53
2-Furancarboxylic acid,tetrahydro-, 1-methylethyl ester, (R)- (9CI) Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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2. 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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
178461-68-2 (2-Furancarboxylic acid,tetrahydro-, 1-methylethyl ester, (R)- (9CI)) Related Products
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