Cas no 22402-45-5 (1,2-Propanediol,3-(4-hydroxyphenoxy)-)
22402-45-5 structure
Product Name:1,2-Propanediol,3-(4-hydroxyphenoxy)-
1,2-Propanediol,3-(4-hydroxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
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- 1,2-Propanediol,3-(4-hydroxyphenoxy)-
- 2-(4-hydroxyphenoxy)propane-1,3-diol
- SCHEMBL10748557
- 1,2-Propanediol, 3-(p-hydroxyphenoxy)-
- BRN 2366226
- 22402-45-5
- DTXSID60176937
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- Inchi: 1S/C9H12O4/c10-5-9(6-11)13-8-3-1-7(12)2-4-8/h1-4,9-12H,5-6H2
- InChI Key: IGNIFCHMNYFZNK-UHFFFAOYSA-N
- SMILES: O(C1C=CC(=CC=1)O)C(CO)CO
Computed Properties
- Exact Mass: 184.07356
- Monoisotopic Mass: 184.073559
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 128
- 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: 69.9
- XLogP3: 0.2
Experimental Properties
- Density: 1.313
- Boiling Point: 420.2°Cat760mmHg
- Flash Point: 208°C
- Refractive Index: 1.586
- PSA: 69.92
1,2-Propanediol,3-(4-hydroxyphenoxy)- Related Literature
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
22402-45-5 (1,2-Propanediol,3-(4-hydroxyphenoxy)-) Related Products
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