Basic information
- CAS
1193-64-2- Standard SMILES
COc1coccc1=O- InChIKey
WLONNGPPUOEELX-UHFFFAOYSA-N- Molecular formula
- C6H6O3
- Average molar mass
- 126.11 g/mol
- Monoisotopic mass
- 126.03169405
Names & identifiers
- Preferred name
- 3-Methoxypyran-4-one
- IUPAC
- 3-methoxypyran-4-one
- English name
- 4H-Pyran-4-one,3-methoxy-(6CI,7CI,8CI,9CI)
- Molecular formula
- C6H6O3
- Molecular weight
- 126.11
Names & synonyms
1193-64-23-methoxy-4H-pyran-4-one3-METHOXYPYRAN-4-ONEPyromeconic Acid O-Methyl Ether4H-Pyran-4-one,3-methoxy-(6CI,7CI,8CI,9CI)SCHEMBL3517259SCHEMBL6744776DA-16622CS-04359694H-Pyran-4-one, 3-methoxy-
Database identifiers
- CAS
1193-64-2- PubChem CID
- 22645226
- Nikkaji
- J641.843K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Melting point
- 94.5 · 94.5-95.5 °C
- Boiling point
- 280.7 · 280.7±35.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
Chemistry & industry
Applications
UsesPyromeconic Acid O-Methyl Ether is used in the synthesis of the derivative (Arecolidine) of Arecoline (A767500), a cholinergic alkaloid from seeds of the betel nut palm Areca catechu. Anthelmintic (Cestodes); cathartic.
Upstream & downstream products
Upstream raw materials
Suppliers7 total
上海摩睿化学科技有限公司13382110328 15255501563 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
安泰精细化工技术有限公司18503026267 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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