Cas no 6195-62-6 (1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-)
6195-62-6 structure
Product Name:1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-
CAS No:6195-62-6
MF:C11H12O4
MW:208.210583686829
CID:462531
PubChem ID:9815669
Update Time:2025-04-19
1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-
- 5-hydroxy-2-phenyl-1,3-dioxane-4-carbaldehyde
- 6195-62-6
- DTXSID40431177
- SCHEMBL13080876
- 2,4-o-benzylidene-d-threose
-
- Inchi： 1S/C11H12O4/c12-6-10-9(13)7-14-11(15-10)8-4-2-1-3-5-8/h1-6,9-11,13H,7H2
- InChI Key： WGXOIVORNNWRAD-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC=CC=2)OCC(C1C=O)O
Computed Properties
- Exact Mass: 208.07356
- Monoisotopic Mass: 208.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 213
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
6195-62-6 (1,3-Dioxane-4-carboxaldehyde, 5-hydroxy-2-phenyl-) Related Products
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