Cas no 874999-57-2 (2-Furancarboxylic acid,5-[4-(methoxycarbonyl)phenyl]-)
![2-Furancarboxylic acid,5-[4-(methoxycarbonyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/875000/874999-57-2x500.png)
874999-57-2 structure
Product Name:2-Furancarboxylic acid,5-[4-(methoxycarbonyl)phenyl]-
CAS No:874999-57-2
MF:C12H8O5
MW:232.188923835754
CID:709767
PubChem ID:17047066
Update Time:2025-04-19
2-Furancarboxylic acid,5-[4-(methoxycarbonyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxylic acid,5-[4-(methoxycarbonyl)phenyl]-
- 5-(3-CARBOXYPHENYL)-FURAN-2-CARBOXYLIC ACID
- 5-(3-carboxyphenyl)furan-2-carboxylic acid
- CHEMBL4646686
- TXR
- DTXSID50589259
- AKOS000297288
- 874999-57-2
-
- Inchi： 1S/C12H8O5/c13-11(14)8-3-1-2-7(6-8)9-4-5-10(17-9)12(15)16/h1-6H,(H,13,14)(H,15,16)
- InChI Key： IBQCYMBXLOYXCL-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)=CC=C1C1C=CC=C(C(=O)O)C=1
Computed Properties
- Exact Mass: 232.03717335g/mol
- Monoisotopic Mass: 232.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 314
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2
- Topological Polar Surface Area: 87.7?2
2-Furancarboxylic acid,5-[4-(methoxycarbonyl)phenyl]- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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