Cas no 216581-77-0 (4H-Pyran-4-one, 2-(hydroxymethyl)-6-methyl-3-(phenylmethoxy)-)
216581-77-0 structure
Product Name:4H-Pyran-4-one, 2-(hydroxymethyl)-6-methyl-3-(phenylmethoxy)-
CAS No:216581-77-0
MF:C14H14O4
MW:246.258564472198
CID:1403180
PubChem ID:11139409
Update Time:2025-04-20
4H-Pyran-4-one, 2-(hydroxymethyl)-6-methyl-3-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one, 2-(hydroxymethyl)-6-methyl-3-(phenylmethoxy)-
- 2-(hydroxymethyl)-6-methyl-3-phenylmethoxypyran-4-one
- 2-Hydroxymethyl-3-benzyloxy-6-methyl-pyran-4(1H)-one
- SCHEMBL2115557
- 216581-77-0
- DTXSID40456683
- CS-0380268
- DB-347135
- 2-Hydroxymethyl-3-benzyloxy-6-methyl-pyran-4 (1H)-one
- CHEMBL449750
- RMQFOKDLHDGASP-UHFFFAOYSA-N
- SCHEMBL4649501
- 3-(benzyloxy)-2-(hydroxymethyl)-6-methyl-4H-pyran-4-one
-
- Inchi： 1S/C14H14O4/c1-10-7-12(16)14(13(8-15)18-10)17-9-11-5-3-2-4-6-11/h2-7,15H,8-9H2,1H3
- InChI Key： RMQFOKDLHDGASP-UHFFFAOYSA-N
- SMILES： O(CC1C=CC=CC=1)C1C(C=C(C)OC=1CO)=O
Computed Properties
- Exact Mass: 246.08922
- Monoisotopic Mass: 246.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 375
- 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: 1.3
- Topological Polar Surface Area: 55.8?2
Experimental Properties
- PSA: 55.76
4H-Pyran-4-one, 2-(hydroxymethyl)-6-methyl-3-(phenylmethoxy)- Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
216581-77-0 (4H-Pyran-4-one, 2-(hydroxymethyl)-6-methyl-3-(phenylmethoxy)-) Related Products
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