Basic information
- CAS
72206-64-5- Standard SMILES
COC(=O)C1=C(C(=O)OC)C2(c3ccccc3-c3ccccc32)C2C=CC=NN12- InChIKey
AZYRUTBYOHHOOL-UHFFFAOYSA-N- Molecular formula
- C23H18N2O4
- Average molar mass
- 386.4 g/mol
- Monoisotopic mass
- 386.12665706
Names & identifiers
- Preferred name
- dimethyl spiro[4aH-pyrrolo[1,2-b]pyridazine-5,9'-fluorene]-6,7-dicarboxylate
- IUPAC
- dimethyl spiro[4aH-pyrrolo[1,2-b]pyridazine-5,9'-fluorene]-6,7-dicarboxylate
Names & synonyms
72206-64-5NSC356360dimethyl spiro[4aH-pyrrolo[1,2-b]pyridazine-5,9'-fluorene]-6,7-dicarboxylateDTXSID20320212NSC-356360Dimethyl 4'aH-spiro[fluorene-9,5'-pyrrolo[1,2-b]pyridazine]-6',7'-dicarboxylate
Database identifiers
- CAS
72206-64-5- PubChem CID
- 337632
- DTXSID
DTXSID20320212- Nikkaji
- J1.188.015K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 792
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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