Cas no 216581-46-3 (4H-Pyran-2-carboxaldehyde, 6-methyl-4-oxo-3-(phenylmethoxy)-)
216581-46-3 structure
Product Name:4H-Pyran-2-carboxaldehyde, 6-methyl-4-oxo-3-(phenylmethoxy)-
CAS No:216581-46-3
MF:C14H12O4
MW:244.242684364319
CID:1403179
PubChem ID:12011187
Update Time:2025-04-20
4H-Pyran-2-carboxaldehyde, 6-methyl-4-oxo-3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-2-carboxaldehyde, 6-methyl-4-oxo-3-(phenylmethoxy)-
- 2-formyl-3-benzyloxy-6-methyl-pyran-4(1H)-one
- 6-methyl-4-oxo-3-phenylmethoxypyran-2-carbaldehyde
- CHEMBL485158
- AT33353
- 3-(benzyloxy)-6-methyl-4-oxo-4H-pyran-2-carbaldehyde
- SCHEMBL5165100
- QODDKYKRVSWARB-UHFFFAOYSA-N
- DB-365121
- 216581-46-3
- DTXSID30475782
- SCHEMBL2115663
-
- Inchi： 1S/C14H12O4/c1-10-7-12(16)14(13(8-15)18-10)17-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
- InChI Key： QODDKYKRVSWARB-UHFFFAOYSA-N
- SMILES： O(C1C(C=C(C)OC=1C=O)=O)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 244.07356
- Monoisotopic Mass: 244.07355886g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 400
- 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
- XLogP3: 1.8
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
4H-Pyran-2-carboxaldehyde, 6-methyl-4-oxo-3-(phenylmethoxy)- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
216581-46-3 (4H-Pyran-2-carboxaldehyde, 6-methyl-4-oxo-3-(phenylmethoxy)-) Related Products
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