Cas no 221905-28-8 (5-methyl-3-Benzofuranmethanol)
5-methyl-3-Benzofuranmethanol structure
Product Name:5-methyl-3-Benzofuranmethanol
CAS No:221905-28-8
MF:C10H10O2
MW:162.185203075409
CID:1109294
Update Time:2024-07-25
5-methyl-3-Benzofuranmethanol Chemical and Physical Properties
Names and Identifiers
-
- 5-methyl-3-Benzofuranmethanol
- 3-Benzofuranmethanol, 5-methyl-
-
- Inchi： 1S/C10H10O2/c1-7-2-3-10-9(4-7)8(5-11)6-12-10/h2-4,6,11H,5H2,1H3
- InChI Key： CQYMBAARSFSVSY-UHFFFAOYSA-N
- SMILES： O1C2=CC=C(C)C=C2C(CO)=C1
Computed Properties
- Exact Mass: 162.0681
- Monoisotopic Mass: 162.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 158
- 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
Experimental Properties
- Density: 1.188±0.06 g/cm3(Predicted)
- Boiling Point: 198.1±10.0 °C(Predicted)
- PSA: 33.37
- pka: 14.16±0.10(Predicted)
5-methyl-3-Benzofuranmethanol Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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