Cas no 52107-57-0 (1,3-Benzenedicarboxylic acid, bis(2-furanylmethyl) ester)
52107-57-0 structure
Product Name:1,3-Benzenedicarboxylic acid, bis(2-furanylmethyl) ester
CAS No:52107-57-0
MF:C18H14O6
MW:326.300165653229
CID:360623
PubChem ID:1540368
Update Time:2025-04-19
1,3-Benzenedicarboxylic acid, bis(2-furanylmethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, bis(2-furanylmethyl) ester
- bis(furan-2-ylmethyl) benzene-1,3-dicarboxylate
- 52107-57-0
- DTXSID40364239
-
- Inchi： 1S/C18H14O6/c19-17(23-11-15-6-2-8-21-15)13-4-1-5-14(10-13)18(20)24-12-16-7-3-9-22-16/h1-10H,11-12H2
- InChI Key： ZVVDTGFFDYIWTE-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC=C(C(=O)OCC2=CC=CO2)C=1)=O)CC1=CC=CO1
Computed Properties
- Exact Mass: 326.07902
- Monoisotopic Mass: 326.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 8
- Complexity: 399
- 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: 2.8
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.88
1,3-Benzenedicarboxylic acid, bis(2-furanylmethyl) ester Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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