Cas no 123418-15-5 (1,2-Benzenedicarboxylic acid, 3-(2-furanyl)-, dimethyl ester)
123418-15-5 structure
Product Name:1,2-Benzenedicarboxylic acid, 3-(2-furanyl)-, dimethyl ester
CAS No:123418-15-5
MF:C14H12O5
MW:260.242084503174
CID:1218278
PubChem ID:14321379
Update Time:2025-04-20
1,2-Benzenedicarboxylic acid, 3-(2-furanyl)-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 3-(2-furanyl)-, dimethyl ester
- dimethyl 3-(furan-2-yl)benzene-1,2-dicarboxylate
- 123418-15-5
- DTXSID10558885
- 1,2-Benzenedicarboxylic acid, 3-(2-furanyl)-, 1,2-dimethyl ester
-
- Inchi： 1S/C14H12O5/c1-17-13(15)10-6-3-5-9(11-7-4-8-19-11)12(10)14(16)18-2/h3-8H,1-2H3
- InChI Key： BJVBJTAZRXDEIQ-UHFFFAOYSA-N
- SMILES： O1C=CC=C1C1C=CC=C(C(=O)OC)C=1C(=O)OC
Computed Properties
- Exact Mass: 260.06846
- Monoisotopic Mass: 260.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 5
- Complexity: 341
- 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: 2.4
- Topological Polar Surface Area: 65.7?2
Experimental Properties
- PSA: 65.74
1,2-Benzenedicarboxylic acid, 3-(2-furanyl)-, dimethyl ester Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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