Cas no 108123-02-0 (3-Furancarboxylic acid, 2,5-dimethyl-4-phenyl-, ethyl ester)
108123-02-0 structure
Product Name:3-Furancarboxylic acid, 2,5-dimethyl-4-phenyl-, ethyl ester
CAS No:108123-02-0
MF:C15H16O3
MW:244.285744667053
CID:1185121
PubChem ID:14957311
Update Time:2025-04-20
3-Furancarboxylic acid, 2,5-dimethyl-4-phenyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 3-Furancarboxylic acid, 2,5-dimethyl-4-phenyl-, ethyl ester
- ethyl 2,5-dimethyl-4-phenylfuran-3-carboxylate
- 108123-02-0
- DTXSID20566072
-
- Inchi： 1S/C15H16O3/c1-4-17-15(16)14-11(3)18-10(2)13(14)12-8-6-5-7-9-12/h5-9H,4H2,1-3H3
- InChI Key： OUKZGLWNKFUGQS-UHFFFAOYSA-N
- SMILES： O1C(C)=C(C(=O)OCC)C(C2C=CC=CC=2)=C1C
Computed Properties
- Exact Mass: 244.10998
- Monoisotopic Mass: 244.109944368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 284
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.6
- Topological Polar Surface Area: 39.4?2
Experimental Properties
- PSA: 39.44
- LogP: 3.74010
3-Furancarboxylic acid, 2,5-dimethyl-4-phenyl-, ethyl ester Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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