Cas no 53020-40-9 (4-hydroxybenzofuran-2-carbonitrile)
53020-40-9 structure
Product Name:4-hydroxybenzofuran-2-carbonitrile
CAS No:53020-40-9
MF:C9H5NO2
MW:159.141502141953
CID:385437
PubChem ID:298935
Update Time:2025-04-19
4-hydroxybenzofuran-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-hydroxybenzofuran-2-carbonitrile
- 2-Benzofurancarbonitrile, 4-hydroxy-
- 4-hydroxy-1-benzofuran-2-carbonitrile
- 2-cyano-4-hydroxybenzofuran
- 4-hydroxy-benzofuran-2-carbonitrile
- AC1L6TVF
- AG-F-81377
- CTK1H4713
- Cyano-2-hydroxy-4-benzofuran
- NSC171309
- NSC-171309
- DTXSID90305637
- 53020-40-9
- 2-Benzofurancarbonitrile,4-hydroxy-
-
- Inchi： 1S/C9H5NO2/c10-5-6-4-7-8(11)2-1-3-9(7)12-6/h1-4,11H
- InChI Key： HSTGTLPDEYTSBU-UHFFFAOYSA-N
- SMILES： O1C(C#N)=CC2C(=CC=CC1=2)O
Computed Properties
- Exact Mass: 159.03205
- Monoisotopic Mass: 159.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 220
- 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
- Topological Polar Surface Area: 57.2?2
Experimental Properties
- Density: 1.39
- Boiling Point: 179.7°Cat760mmHg
- Flash Point: 62.5°C
- Refractive Index: 1.678
- PSA: 57.16
- LogP: 2.01008
4-hydroxybenzofuran-2-carbonitrile Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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