3-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
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Basic information
- CAS
603067-15-8- Standard SMILES
COc1ccc(-c2noc3c2CCN3)c(OC)c1- InChIKey
HORNCBMFXYFNNR-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3
- Average molar mass
- 246.26 g/mol
- Monoisotopic mass
- 246.10044231
Names & identifiers
- Preferred name
- 3-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
- IUPAC
- 3-(2,4-dimethoxyphenyl)-5,6-dihydro-4H-pyrrolo[3,2-d][1,2]oxazole
- English name
- 4H-Pyrrolo[3,2-d]isoxazole,3-(2,4-dimethoxyphenyl)-5,6-dihydro-(9CI)
- Molecular formula
- C13H14N2O3
- Molecular weight
- 246.26
Names & synonyms
603067-15-8DB-2724874H-PYRROLO[3,2-D]ISOXAZOLE, 3-(2,4-DIMETHOXYPHENYL)-5,6-DIHYDRO-4H-Pyrrolo[3,2-d]isoxazole,3-(2,4-dimethoxyphenyl)-5,6-dihydro-(9CI)
Database identifiers
- CAS
603067-15-8- PubChem CID
- 4280902
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
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Compound notes
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