Basic information
- CAS
74857-72-0- Standard SMILES
COC1OCC2(C)OC(c3ccccc3)=NC2C1O- InChIKey
CEZQRQZJBCYQQY-UHFFFAOYSA-N- Molecular formula
- C14H17NO4
- Average molar mass
- 263.29 g/mol
- Monoisotopic mass
- 263.11575802
Names & identifiers
- Preferred name
- 6-Methoxy-3a-methyl-2-phenyl-4,6,7,7a-tetrahydropyrano[4,3-d][1,3]oxazol-7-ol
- IUPAC
- 6-methoxy-3a-methyl-2-phenyl-4,6,7,7a-tetrahydropyrano[4,3-d][1,3]oxazol-7-ol
Names & synonyms
74857-72-0NSC3554696-methoxy-3a-methyl-2-phenyl-4,6,7,7a-tetrahydropyrano[4,3-d][1,3]oxazol-7-olDTXSID80320172NSC-3554696-Methoxy-3a-methyl-2-phenyl-3a,6,7,7a-tetrahydro-4H-pyrano[4,3-d][1,3]oxazol-7-ol
Database identifiers
- CAS
74857-72-0- PubChem CID
- 337498
- DTXSID
DTXSID80320172
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 366
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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