N-methylpyrophthalone
Basic information
- CAS
55022-23-6- Standard SMILES
CN1C=CC=CC1=C1C(=O)c2ccccc2C1=O- InChIKey
OGHRXHASJDRHIX-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- N-methylpyrophthalone
- IUPAC
- 2-(1-methyl-2-pyridinylidene)indene-1,3-dione
Names & synonyms
NSC35634755022-23-6C15H11NO2N-methylpyrophthaloneDTXSID10320206NSC-3563472-(1-Methylpyridin-2(1H)-ylidene)-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
55022-23-6- PubChem CID
- 337617
- DTXSID
DTXSID10320206- Nikkaji
- J999.171I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 37.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 473
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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