Cas no 2298-99-9 (4H-Pyran-4-one,3-hydroxy-2,6-dimethyl-)
2298-99-9 structure
Product Name:4H-Pyran-4-one,3-hydroxy-2,6-dimethyl-
4H-Pyran-4-one,3-hydroxy-2,6-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-Pyran-4-one,3-hydroxy-2,6-dimethyl-
- 3-hydroxy-2,6-dimethylpyran-4-one
- 2,6-dimethyl-3-hydroxy-4H-pyran-4-one
- 2,6-Dimethyl-5-hydroxy-4H-pyran-4-one
- 2.6-Dimethyl-3-hydroxy-4H-pyran-4-on
- 3-Hydroxy-2,6-dimethyl-4H-pyran-4-one
- 3-Hydroxy-2,6-dimethyl-4-pyron
- 3-hydroxy-2,6-dimethyl-4-pyrone
- 3-hydroxy-2,6-dimethyl-pyran-4-one
- 6-methylmaltol
- SCHEMBL2590278
- CHEMBL122155
- 3-Hydroxy-2,6-dimethyl-4H-pyran-4-one #
- 4H-Pyran-4-one, 3-hydroxy-2,6-dimethyl-
- 2298-99-9
- DTXSID80879099
- NSC20756
- NSC-20756
- XDEZVFBBUCLCGZ-UHFFFAOYSA-N
-
- Inchi： 1S/C7H8O3/c1-4-3-6(8)7(9)5(2)10-4/h3,9H,1-2H3
- InChI Key： XDEZVFBBUCLCGZ-UHFFFAOYSA-N
- SMILES： O1C(C)=CC(C(=C1C)O)=O
Computed Properties
- Exact Mass: 140.04734
- Monoisotopic Mass: 140.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 235
- 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: 0.7
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
- LogP: 0.96220
4H-Pyran-4-one,3-hydroxy-2,6-dimethyl- Related Literature
-
1. Synthesis of 5,6-dihydropyran-3(4H)-oneKikumasa Sato,Seiichi Inoue,Tohru Tanami,Masao Ohasi J. Chem. Soc. Perkin Trans. 1 1981 1015
2298-99-9 (4H-Pyran-4-one,3-hydroxy-2,6-dimethyl-) Related Products
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