Basic information
- CAS
88444-68-2- Standard SMILES
COC(=O)C1(C(=O)OC)CCCC2=NOC3CCC1C23- InChIKey
LPNGYZOHDYOPNL-UHFFFAOYSA-N- Molecular formula
- C14H19NO5
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.12632271
Names & identifiers
- Preferred name
- Dimethyl 4,5,7,8,8a,8b-hexahydro-3H-azuleno(8,1-cd)isoxazole-6,6(6aH)-dicarboxylate
- IUPAC
- dimethyl 3-oxa-2-azatricyclo[5.4.1.04,12]dodec-1-ene-8,8-dicarboxylate
Names & synonyms
88444-68-2NSC366384NSC 366384Dimethyl 4,5,7,8,8a,8b-hexahydro-3H-azuleno(8,1-cd)isoxazole-6,6(6aH)-dicarboxylateDimethyl 4,5,7,8,8a,8b-hexahydro-3H-azuleno[8,1-cd]isoxazole-6,6(6aH)-dicarboxylateDTXSID801008148NSC-366384Dimethyl 4,5,7,8,8a,8b-hexahydro-3H-azuleno[8,1-cd][1,2]oxazole-6,6(6aH)-dicarboxylate
Database identifiers
- CAS
88444-68-2- PubChem CID
- 435262
- DTXSID
DTXSID801008148
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 456
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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