4-Methoxy-6-methyl-2H-pyran-2-one - CAS 672-89-9
Catalog: |
BB033236 |
Product Name: |
4-Methoxy-6-methyl-2H-pyran-2-one |
CAS: |
672-89-9 |
Synonyms: |
4-methoxy-6-methylpyran-2-one |
IUPAC Name: | 4-methoxy-6-methylpyran-2-one |
Description: | 4-Methoxy-6-methyl-2H-pyran-2-one acts as a potential selective agonist for the ghrelin receptor (GHS-R1a), a receptor which plays in a role in appetite. |
Molecular Weight: | 140.14 |
Molecular Formula: | C7H8O3 |
Canonical SMILES: | CC1=CC(=CC(=O)O1)OC |
InChI: | InChI=1S/C7H8O3/c1-5-3-6(9-2)4-7(8)10-5/h3-4H,1-2H3 |
InChI Key: | MTZAUZNQAMNFME-UHFFFAOYSA-N |
Boiling Point: | 280.3 °C at 760 mmHg |
Density: | 1.14 g/cm3 |
MDL: | MFCD00006640 |
LogP: | 0.95680 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2648689-A2 | 2-pyrones | 20101210 |
EP-2648689-B1 | 2-pyrones | 20101210 |
US-10188592-B2 | 2-pyrones | 20101210 |
US-2013261175-A1 | 2-pyrones | 20101210 |
US-2017014325-A1 | 2-pyrones | 20101210 |
PMID | Publication Date | Title | Journal |
22925447 | 20120915 | Structure-anti-leukemic activity relationship study of ortho-dihydroxycoumarins in U-937 cells: key role of the δ-lactone ring in determining differentiation-inducing potency and selective pro-apoptotic action | Bioorganic & medicinal chemistry |
21306110 | 20110413 | HIV-1 integrase and neuraminidase inhibitors from Alpinia zerumbet | Journal of agricultural and food chemistry |
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: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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Pyrans
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