Cas no 893638-36-3 (2-Furancarboxylic acid,5-(2-cyanophenyl)-)
893638-36-3 structure
Product Name:2-Furancarboxylic acid,5-(2-cyanophenyl)-
CAS No:893638-36-3
MF:C12H7NO3
MW:213.188883066177
CID:714592
PubChem ID:23005122
Update Time:2025-04-19
2-Furancarboxylic acid,5-(2-cyanophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarboxylic acid,5-(2-cyanophenyl)-
- 5-(2-cyanophenyl)furan-2-carboxylic acid
- 5-(2-Cyanophenyl)-furane-2-carboxylic acid
- 5-(2-Cyanophenyl)-2-furoic acid
- BB 0246360
- DTXSID90629608
- 5-(2-Cyano-phenyl)-furan-2-carboxylic acid
- AB01334859-02
- AKOS000299740
- NCGC00342944-01
- 893638-36-3
-
- Inchi： 1S/C12H7NO3/c13-7-8-3-1-2-4-9(8)10-5-6-11(16-10)12(14)15/h1-6H,(H,14,15)
- InChI Key： YYRBOCOFPPKDFG-UHFFFAOYSA-N
- SMILES： O1C(C(=O)O)=CC=C1C1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 213.04300
- Monoisotopic Mass: 213.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 320
- 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: 2.2
- Topological Polar Surface Area: 74.2?2
Experimental Properties
- PSA: 74.23000
- LogP: 2.51648
2-Furancarboxylic acid,5-(2-cyanophenyl)- Related Literature
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Xiaofeng Lin RSC Adv., 2016,6, 9002-9006
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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