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Basic information
- Standard SMILES
COC(=O)N1C2C3C=CC(C3OC(C)=O)C2N1C(=O)OC- InChIKey
YOQCACODXOFDLX-UHFFFAOYSA-N- Molecular formula
- C13H16N2O6
- Average molar mass
- 296.28 g/mol
- Monoisotopic mass
- 296.10083623
Names & identifiers
- Preferred name
- 3,4-Dimethoxycarbonyl-9-acetoxy-3,4-diazatricyclo[4,2,1,02,5]non-7-ene
- IUPAC
- dimethyl 9-acetyloxy-3,4-diazatricyclo[4.2.1.02,5]non-7-ene-3,4-dicarboxylate
Names & synonyms
SCHEMBL11217082YOQCACODXOFDLX-UHFFFAOYSA-N3,4-dimethoxycarbonyl-9-acetoxy-3,4-diazatricyclo[4,2,1,02,5 ]non-7-ene
Database identifiers
- PubChem CID
- 54519293
Properties
Computed structural propertiesFilling in
- XLogP
- 0.6
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 495
Related reactions
1 records
Compound notes
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