Cas no 7478-93-5 ( )
structure
Product Name:
CAS No:7478-93-5
MF:C10H15ClO3
MW:218.677302598953
CID:980431
PubChem ID:24200834
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-(3,4-dimethoxyphenyl)ethanol,hydrochloride
- KB-213528
- NSC401557
- NSC-401557
- 1-(3,4-Dimethoxyphenyl)ethan-1-ol--hydrogen chloride (1/1)
- 7478-93-5
- DTXSID00639516
- 1-(3,4-DIMETHOXYPHENYL)ETHANOL HYDROCHLORIDE
-
-
- Inchi： 1S/C10H14O3.ClH/c1-7(11)8-4-5-9(12-2)10(6-8)13-3;/h4-7,11H,1-3H3;1H
- InChI Key： LVSPUBPCHIGOLW-UHFFFAOYSA-N
- SMILES： Cl.OC(C)C1C=CC(=C(C=1)OC)OC
Computed Properties
- Exact Mass: 182.09432
- Monoisotopic Mass: 218.0709720g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 149
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.69
- LogP: 2.55910
Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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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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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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