Cas no 1208-42-0 (1,2,3-Propanetriol,1-(4-hydroxy-3-methoxyphenyl)-)
1208-42-0 structure
Product Name:1,2,3-Propanetriol,1-(4-hydroxy-3-methoxyphenyl)-
1,2,3-Propanetriol,1-(4-hydroxy-3-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Propanetriol,1-(4-hydroxy-3-methoxyphenyl)-
- 1-(4-hydroxy-3-methoxyphenyl)propane-1,2,3-triol
- alpha-Guaiacylglycerol
- erythro-1-(4-Hydroxy-3-methoxyphenyl)-1,2,3-propanetriol
- 38916-91-5
- 1208-42-0
- DTXSID40923562
- 1-(3-methoxy-4-hydroxyphenyl)-1,2,3-propanetriol
- SCHEMBL671224
- Q27124143
- Guaiacylglycerol
- 4-(1,2,3-trihydroxypropyl)-2-methoxyphenol
- CHEMBL1078124
- 3-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol
- 1-(4-hydroxy-3-methoxyphenyl)-1,2,3-propanetriol
- CHEBI:53663
- erythro-Guaiacylglycerol
- guaiacyl glycerol
- 4-hydroxy-3-methoxyphenylglycerol
- (-)-(7R,8S)-guaiacylglycerol
- (-)-(1'R,2'R)-Guaiacyl glycerol
- (1'R,2'R)-Guaiacyl glycerol
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- Inchi： 1S/C10H14O5/c1-15-9-4-6(2-3-7(9)12)10(14)8(13)5-11/h2-4,8,10-14H,5H2,1H3
- InChI Key： LSKFUSLVUZISST-UHFFFAOYSA-N
- SMILES： OC(C1C=CC(=C(C=1)OC)O)C(CO)O
Computed Properties
- Exact Mass: 214.08412
- Monoisotopic Mass: 214.084124
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 187
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 90.2
- XLogP3: -0.6
Experimental Properties
- Density: 1.383
- Boiling Point: 483.7°C at 760 mmHg
- Flash Point: 246.3°C
- Refractive Index: 1.608
- PSA: 90.15
1,2,3-Propanetriol,1-(4-hydroxy-3-methoxyphenyl)- Related Literature
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Ana Casas,Salama Omar,Jose Palomar,Mercedes Oliet,M. Virginia Alonso,Francisco Rodriguez RSC Adv. 2013 3 3453
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Daniel Bautista-García,David Macias-José,Paola Aguillón-Rodríguez,Obed Pérez-Reyes,Carmen Ortiz-Cervantes New J. Chem. 2023 47 6164
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Daniel Bautista-García,David Macias-José,Paola Aguillón-Rodríguez,Obed Pérez-Reyes,Carmen Ortiz-Cervantes New J. Chem. 2023 47 6164
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Xiaoming Huang,Olivia M. Morales Gonzalez,Jiadong Zhu,Tamás I. Korányi,Michael D. Boot,Emiel J. M. Hensen Green Chem. 2017 19 175
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Ewelina Orlowska,éva A. Enyedy,Marc Pignitter,Franz Jirsa,Regina Krachler,Wolfgang Kandioller,Bernhard K. Keppler New J. Chem. 2017 41 11546
1208-42-0 (1,2,3-Propanetriol,1-(4-hydroxy-3-methoxyphenyl)-) Related Products
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