3-(3-Methoxyisoxazol-5-yl)propan-1-ol
Basic information
- CAS
95406-76-1- Standard SMILES
COc1cc(CCCO)on1- InChIKey
JJLMMGBWYSOKPX-UHFFFAOYSA-N- Molecular formula
- C7H11NO3
- Average molar mass
- 157.17 g/mol
- Monoisotopic mass
- 157.07389321
Names & identifiers
- Preferred name
- 3-(3-Methoxyisoxazol-5-yl)propan-1-ol
- IUPAC
- 3-(3-methoxy-1,2-oxazol-5-yl)propan-1-ol
- English name
- 5-Isoxazolepropanol,3-methoxy-(9CI)
- Molecular formula
- C7H11NO3
- Molecular weight
- 157.16714
Names & synonyms
3-(3-Methoxyisoxazol-5-yl)propan-1-ol95406-76-1SCHEMBL189148015-Isoxazolepropanol,3-methoxy-(9CI)3-methoxy-5-(3-hydroxypropyl)isoxazole
Database identifiers
- CAS
95406-76-1- PubChem CID
- 45099142
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 55.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 110
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