Basic information
- CAS
1146298-56-7- Standard SMILES
COC(=O)CCC1=NC(C)(C)CO1- InChIKey
WKYMQJKHSOFCST-UHFFFAOYSA-N- Molecular formula
- C9H15NO3
- Average molar mass
- 185.22 g/mol
- Monoisotopic mass
- 185.10519334
Names & identifiers
- Preferred name
- 2-Oxazolepropanoic acid, 4,5-dihydro-4,4-dimethyl-, methyl ester
- IUPAC
- methyl 3-(4,4-dimethyl-5H-1,3-oxazol-2-yl)propanoate
Names & synonyms
DTXSID7011707662-Oxazolepropanoic acid, 4,5-dihydro-4,4-dimethyl-, methyl ester1146298-56-7Methyl 3-(4,4-dimethyl-4,5-dihydro-1,3-oxazol-2-yl)propanoate
Database identifiers
- CAS
1146298-56-7- PubChem CID
- 39733687
- DTXSID
DTXSID701170766
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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