Basic information
- CAS
72393-13-6- Standard SMILES
CCOC1=NC2C(O1)C1C3C2C13- InChIKey
TUFJIVUHTYZSOC-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 8-Ethoxy-7-oxa-9-azatetracyclo[4.3.0.02,4.03,5]non-8-ene
- IUPAC
- 8-ethoxy-7-oxa-9-azatetracyclo[4.3.0.02,4.03,5]non-8-ene
- English name
- 4,5,6-Metheno-4H-cyclopentoxazole,2-ethoxy-3a,5,6,6a-tetrahydro-(9CI)
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
NSC33829172393-13-6DTXSID80330953NSC-3382912-Ethoxy-4,5,6,6a-tetrahydro-3aH-4,5,6-(methanetriyl)cyclopenta[d][1,3]oxazole4,5,6-Metheno-4H-cyclopentoxazole,2-ethoxy-3a,5,6,6a-tetrahydro-(9CI)
Database identifiers
- CAS
72393-13-6- PubChem CID
- 433808
- DTXSID
DTXSID80330953
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 30.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 278
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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