Basic information
- CAS
118178-79-3- Standard SMILES
COCCn1ccc(=O)c(O)c1C- InChIKey
CBPRDGWDQCRPEW-UHFFFAOYSA-N- Molecular formula
- C9H13NO3
- Average molar mass
- 183.2 g/mol
- Monoisotopic mass
- 183.08954328
Overview
structure given in first source
Names & identifiers
- Preferred name
- 3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinone
- IUPAC
- 3-hydroxy-1-(2-methoxyethyl)-2-methylpyridin-4-one
- English name
- 3-hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone
- Molecular formula
- C9H13NO3
- Molecular weight
- 183.2
Names & synonyms
118178-79-33-Hydroxy-1-(2-methoxyethyl)-2-methyl-4-pyridinone3-Hydroxy-1-(2-methoxyethyl)-2-methyl-4(1H)-pyridinoneDTXSID20152035RefChem:940613-HMEMPDTXCID8074526CP513-Hydroxy-1-(2-methoxyethyl)-2-methylpyridin-4(1H)-one3-hydroxy-1-(2-methoxyethyl)-2-methylpyridin-4-one4(1H)-Pyridinone,3-hydroxy-1-(2-methoxyethyl)-2-methyl-3-hydroxy-1-(2-methoxyethyl)-2-methyl-1,4-dihydropyridin-4-one
Show more names
1-(2-Methoxyethyl)-2-methyl-3-hydroxypyridin-4(1H)-one3-Hydroxy-1-(2-methoxy-ethyl)-2-methyl-1H-pyridin-4-one
3-hydroxy-1-(2-methoxyethyl)-2-methyl-pyridin-4-one4(1H)-Pyridinone, 3-hydroxy-1-(2-methoxyethyl)-2-methyl-Maltol Related Compound 1CHEMBL311744SCHEMBL7151240CBPRDGWDQCRPEW-UHFFFAOYSA-NHK-15BBL036442
Database identifiers
- CAS
118178-79-3
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 268
Experimental & physicochemical properties
LogP-0.52
Physicochemical properties
- Boiling point
- 291.1 · 291.1±40.0 °C(Predicted)
- Density
- 1.189 · 1.189±0.06 g/cm3(Predicted)
- pka
- 9.37 · 9.37±0.20(Predicted)
Chemistry & industry
Suppliers2 total
PRINCETON[email protected]
CHEMICAL LAND21[email protected]
Related reactions
3 records
Compound notes
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