methyl (2S,5R)-5-methyl-2,5-dihydro-1,3-oxazole-2-carboxylate
Basic information
- CAS
496878-24-1- Standard SMILES
COC(=O)[C@H]1N=C[C@@H](C)O1- InChIKey
JQBMMTNESVYAPS-UHNVWZDZSA-N- Molecular formula
- C6H9NO3
- Average molar mass
- 143.14 g/mol
- Monoisotopic mass
- 143.05824315
Names & identifiers
- Preferred name
- methyl (2S,5R)-5-methyl-2,5-dihydro-1,3-oxazole-2-carboxylate
- IUPAC
- methyl (2S,5R)-5-methyl-2,5-dihydro-1,3-oxazole-2-carboxylate
- English name
- 2-Oxazolecarboxylicacid,2,5-dihydro-5-methyl-,methylester,(2R,5S)-rel-
- Molecular formula
- C6H9NO3
- Molecular weight
- 143.14
Names & synonyms
2-Oxazolecarboxylicacid,2,5-dihydro-5-methyl-,methylester,(2R,5S)-rel-
Database identifiers
- CAS
496878-24-1- PubChem CID
- 131854296
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 166
Physicochemical properties
- Boiling point
- 220.238 · 220.238±40.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.259 · 1.259±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.528 · 3.528±0.60(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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