Cas no 392699-07-9 (3-Furancarboxylic acid,4-ethenyl-2-ethyl-4,5-dihydro-4-methyl-, ethyl ester, (4S)-)
392699-07-9 structure
Product Name:3-Furancarboxylic acid,4-ethenyl-2-ethyl-4,5-dihydro-4-methyl-, ethyl ester, (4S)-
CAS No:392699-07-9
MF:C12H18O3
MW:210.269524097443
CID:299394
PubChem ID:45094982
Update Time:2025-04-19
3-Furancarboxylic acid,4-ethenyl-2-ethyl-4,5-dihydro-4-methyl-, ethyl ester, (4S)- Chemical and Physical Properties
Names and Identifiers
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- 3-Furancarboxylic acid,4-ethenyl-2-ethyl-4,5-dihydro-4-methyl-, ethyl ester, (4S)-
- 3-Furancarboxylicacid,4-ethenyl-2-ethyl-4,5-dihydro-4-methyl-,ethylester,(4S)-(9CI)
- ethyl (3S)-3-ethenyl-5-ethyl-3-methyl-2H-furan-4-carboxylate
- 392699-07-9
- 3-furancarboxylic acid,4-ethenyl-2-ethyl-4,5-dihydro-4-methyl-,ethyl ester,(4s)-
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- Inchi： 1S/C12H18O3/c1-5-9-10(11(13)14-7-3)12(4,6-2)8-15-9/h6H,2,5,7-8H2,1,3-4H3/t12-/m1/s1
- InChI Key： YUJMVOSUHSQGDQ-GFCCVEGCSA-N
- SMILES： O1C(CC)=C(C(=O)OCC)[C@@](C=C)(C)C1
Computed Properties
- Exact Mass: 210.126
- Monoisotopic Mass: 210.126
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 304
- 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
- XLogP3: 2.7
3-Furancarboxylic acid,4-ethenyl-2-ethyl-4,5-dihydro-4-methyl-, ethyl ester, (4S)- Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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