Cas no 400746-19-2 (2-Furancarboxylic acid,5-(3-formylphenyl)-, methyl ester)
400746-19-2 structure
Product Name:2-Furancarboxylic acid,5-(3-formylphenyl)-, methyl ester
CAS No:400746-19-2
MF:C13H10O4
MW:230.216104030609
CID:325751
PubChem ID:17603916
Update Time:2025-04-19
2-Furancarboxylic acid,5-(3-formylphenyl)-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxylic acid,5-(3-formylphenyl)-, methyl ester
- 3-(5-(Methoxycarbonyl)furan-2-yl)benzaldehyde
- methyl 5-(3-formylphenyl)furan-2-carboxylate
- 400746-19-2
- DTXSID30589676
-
- Inchi: 1S/C13H10O4/c1-16-13(15)12-6-5-11(17-12)10-4-2-3-9(7-10)8-14/h2-8H,1H3
- InChI Key: QCGXNXGFVPXUMH-UHFFFAOYSA-N
- SMILES: O1C(C(=O)OC)=CC=C1C1C=CC=C(C=O)C=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: 289
- 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-(3-formylphenyl)-, methyl ester Related Literature
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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