2,3,5-Trimethylpyridin-4-ol
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Basic information
- CAS
134472-36-9- Standard SMILES
Cc1[nH]cc(C)c(=O)c1C- InChIKey
QWBTVCZDNZKEAK-UHFFFAOYSA-N- Molecular formula
- C8H11NO
- Average molar mass
- 137.18 g/mol
- Monoisotopic mass
- 137.08406397
Names & identifiers
- Preferred name
- 2,3,5-Trimethylpyridin-4-ol
- IUPAC
- 2,3,5-trimethyl-1H-pyridin-4-one
- English name
- 4(1H)-Pyridinone,2,3,5-trimethyl-(9CI)
- Molecular formula
- C8H11NO
- Molecular weight
- 137.18
Names & synonyms
134472-36-92,3,5-trimethyl-1H-pyridin-4-one2,3,5-Trimethylpyridin-4-ol4(1H)-Pyridinone,2,3,5-trimethyl-(9CI)477585-19-6SCHEMBL5599926SCHEMBL9330869SCHEMBL9332858AKOS0063811664-PYRIDINOL, 2,3,5-TRIMETHYL-DB-283336DB-283940
Show more names
4(1H)-PYRIDINONE, 2,3,5-TRIMETHYL-
Database identifiers
- CAS
134472-36-9- PubChem CID
- 15055119
- Nikkaji
- J31.357B
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 236
Physicochemical properties
- Boiling point
- 218.5 · 218.5±33.0 °C(Predicted)
- Density
- 0.983 · 0.983±0.06 g/cm3(Predicted)
- pka
- 12.14 · 12.14±0.69(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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