Cas no 64418-91-3 (2-Benzofurancarboxaldehyde,5-hydroxy-)
64418-91-3 structure
Product Name:2-Benzofurancarboxaldehyde,5-hydroxy-
CAS No:64418-91-3
MF:C9H6O3
MW:162.142142772675
CID:499895
PubChem ID:23467381
Update Time:2025-04-19
2-Benzofurancarboxaldehyde,5-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzofurancarboxaldehyde,5-hydroxy-
- SCHEMBL11403521
- 5-hydroxybenzofuran-2-carbaldehyde
- 5-HYDROXY-1-BENZOFURAN-2-CARBALDEHYDE
- 64418-91-3
-
- Inchi： 1S/C9H6O3/c10-5-8-4-6-3-7(11)1-2-9(6)12-8/h1-5,11H
- InChI Key： LHWMCHLOKJUANF-UHFFFAOYSA-N
- SMILES： O1C(C=O)=CC2C=C(C=CC1=2)O
Computed Properties
- Exact Mass: 162.03168
- Monoisotopic Mass: 162.032
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 181
- 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: 50.4A^2
- XLogP3: 1.8
Experimental Properties
- PSA: 50.44
2-Benzofurancarboxaldehyde,5-hydroxy- Related Literature
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
64418-91-3 (2-Benzofurancarboxaldehyde,5-hydroxy-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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