N-(2-hydroxy-5-methoxyphenyl)acetamide
Basic information
- CAS
68596-52-1- Standard SMILES
COc1ccc(O)c(NC(C)=O)c1- InChIKey
MUPYDVUZRWNTEF-UHFFFAOYSA-N- Molecular formula
- C9H11NO3
- Average molar mass
- 181.19 g/mol
- Monoisotopic mass
- 181.07389321
Names & identifiers
- Preferred name
- N-(2-hydroxy-5-methoxyphenyl)acetamide
- IUPAC
- N-(2-hydroxy-5-methoxyphenyl)acetamide
- English name
- N-(2-hydroxy-5-methoxyphenyl)acetamide
- Molecular formula
- C9H11NO3
- Molecular weight
- 181.19
Names & synonyms
N-(2-hydroxy-5-methoxyphenyl)acetamide68596-52-1Oprea1_416084Oprea1_473117SCHEMBL2856689MUPYDVUZRWNTEF-UHFFFAOYSA-NAKOS000730223HS-3914ST50447453Acetamide, N-(2-hydroxy-5-methoxyphenyl)-
Database identifiers
- CAS
68596-52-1- PubChem CID
- 817992
- Nikkaji
- J3.791.316B
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 184
Physicochemical properties
- Melting point
- 160.6 · 160.6-161.5 °C
- Boiling point
- 387.1 · 387.1±32.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 9.75 · 9.75±0.48(Predicted)
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Related reactions
2 records
Compound notes
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