Cas no 874999-81-2 (5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid)
874999-81-2 structure
Product Name:5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid
CAS No:874999-81-2
MF:C13H10O5
MW:246.215504169464
CID:709768
PubChem ID:4189541
Update Time:2025-04-19
5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid
- 5-(3-methoxycarbonylphenyl)furan-2-carboxylic Acid
- AKOS000296204
- 5-(3-(Methoxycarbonyl)phenyl)furan-2-carboxylic acid
- 874999-81-2
- SCHEMBL13269280
- VQHMVSOPNCHNBW-UHFFFAOYSA-N
- DTXSID90400550
- 5-[3-(Methoxycarbonyl)phenyl]furan-2-carboxylic acid
-
- Inchi： 1S/C13H10O5/c1-17-13(16)9-4-2-3-8(7-9)10-5-6-11(18-10)12(14)15/h2-7H,1H3,(H,14,15)
- InChI Key： VQHMVSOPNCHNBW-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)=CC=C1C1C=CC=C(C(=O)OC)C=1
Computed Properties
- Exact Mass: 246.053
- Monoisotopic Mass: 246.053
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 327
- 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
- Topological Polar Surface Area: 76.7A^2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.4
5-(3-Methoxycarbonylphenyl)-furan-2-carboxylic acid Related Literature
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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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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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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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