3-Methoxy-2-methyl-4H-pyran-4-one - CAS 4780-14-7
Catalog: |
BB056411 |
Product Name: |
3-Methoxy-2-methyl-4H-pyran-4-one |
CAS: |
4780-14-7 |
Synonyms: |
3-Methoxy-2-methyl-4H-pyran-4-one; 5-Methoxy-6-methyl-4-pyrone; Maltol methyl ether |
IUPAC Name: | 3-methoxy-2-methylpyran-4-one |
Description: | 3-Methoxy-2-methyl-4H-pyran-4-one is a reagent used in the synthesis of Staphylococcus antibacterials. |
Molecular Weight: | 140.14 |
Molecular Formula: | C7H8O3 |
Canonical SMILES: | CC1=C(C(=O)C=CO1)OC |
InChI: | InChI=1S/C7H8O3/c1-5-7(9-2)6(8)3-4-10-5/h3-4H,1-2H3 |
InChI Key: | NGGPLHHTRNJSDT-UHFFFAOYSA-N |
References: | Li, J. et al. Polymer, 87, 64 (2016); Martin, D. et al. J. Am. Chem. Soc., 136, 5400 (2014). |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 140.047344113 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 140.047344113 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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