Cas no 400746-13-6 (2-Furancarboxylic acid,5-(4-formylphenyl)-, methyl ester)
400746-13-6 structure
Product Name:2-Furancarboxylic acid,5-(4-formylphenyl)-, methyl ester
CAS No:400746-13-6
MF:C13H10O4
MW:230.216104030609
CID:325750
PubChem ID:17603915
Update Time:2025-04-19
2-Furancarboxylic acid,5-(4-formylphenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxylic acid,5-(4-formylphenyl)-, methyl ester
- 4-(5-(Methoxycarbonyl)furan-2-yl)benzaldehyde
- methyl 5-(4-formylphenyl)furan-2-carboxylate
- DTXSID70589675
- 400746-13-6
-
- Inchi： 1S/C13H10O4/c1-16-13(15)12-7-6-11(17-12)10-4-2-9(8-14)3-5-10/h2-8H,1H3
- InChI Key： OFPQJVONQIUFLD-UHFFFAOYSA-N
- SMILES： O1C(C(=O)OC)=CC=C1C1C=CC(C=O)=CC=1
Computed Properties
- Exact Mass: 230.05800
- Monoisotopic Mass: 230.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 281
- 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: 2.3
- Topological Polar Surface Area: 56.5?2
Experimental Properties
- PSA: 56.51000
- LogP: 2.54570
2-Furancarboxylic acid,5-(4-formylphenyl)-, methyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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