5-Methylchrysene-1,2-dione
Basic information
- CAS
86827-66-9- Standard SMILES
Cc1cc2ccccc2c2ccc3c(c12)C=CC(=O)C3=O- InChIKey
XNSVJANXWKEDCJ-UHFFFAOYSA-N- Molecular formula
- C19H12O2
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.08372962
Names & identifiers
- Preferred name
- 5-Methylchrysene-1,2-dione
- IUPAC
- 5-methylchrysene-1,2-dione
- English name
- 5-Methylchrysene-1,2-dione
- Molecular formula
- C19H12O2
- Molecular weight
- 272.3
Names & synonyms
5-Methylchrysene-1,2-dione86827-66-95-Methyl-1,2-chrysenedioneCCRIS 7619DTXSID502358451,2-Chrysenedione, 5-methyl-
Database identifiers
- CAS
86827-66-9- PubChem CID
- 150741
- DTXSID
DTXSID50235845
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 492
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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