Basic information
- CAS
65429-72-3- Standard SMILES
CCCCCCC1CC(CCC(=O)OC)=NO1- InChIKey
IDRUVWVNFBQOBI-UHFFFAOYSA-N- Molecular formula
- C13H23NO3
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.1677936
Names & identifiers
- Preferred name
- Methyl 3-(5-hexyl-4,5-dihydro-1,2-oxazol-3-YL)propanoate
- IUPAC
- methyl 3-(5-hexyl-4,5-dihydro-1,2-oxazol-3-yl)propanoate
Names & synonyms
65429-72-3Methyl 3-(5-hexyl-4,5-dihydroisoxazol-3-yl)propanoateMETHYL 3-(5-HEXYL-4,5-DIHYDRO-1,2-OXAZOL-3-YL)PROPANOATEDTXSID70495141
Database identifiers
- CAS
65429-72-3- PubChem CID
- 12376596
- DTXSID
DTXSID70495141
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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