2-(2-methylbenzylidene)-1H-indene-1,3(2H)-dione
Basic information
- CAS
15875-52-2- Standard SMILES
Cc1ccccc1C=C1C(=O)c2ccccc2C1=O- InChIKey
KEMRBDBMXCRMAD-UHFFFAOYSA-N- Molecular formula
- C17H12O2
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.08372962
Names & identifiers
- Preferred name
- 2-(2-methylbenzylidene)-1H-indene-1,3(2H)-dione
- IUPAC
- 2-[(2-methylphenyl)methylidene]indene-1,3-dione
Names & synonyms
15875-52-22-(2-methylbenzylidene)-1H-indene-1,3(2H)-dioneCHEMBL5639142SCHEMBL12127310SCHEMBL30395714DTXSID50358765STL325509AKOS001021950SR-01000025171SR-01000025171-1Z443010412-[(2-Methylphenyl)methylidene]-1H-indene-1,3(2H)-dione
Database identifiers
- CAS
15875-52-2- PubChem CID
- 914768
- DTXSID
DTXSID50358765- ChEMBL
CHEMBL5639142- Nikkaji
- J2.862.173F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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