Basic information
- CAS
79075-22-2- Standard SMILES
Cc1ccc2cccc3c2c1C(=O)OC3=O- InChIKey
CMGOKNSJGLBRRQ-UHFFFAOYSA-N- Molecular formula
- C13H8O3
- Average molar mass
- 212.2 g/mol
- Monoisotopic mass
- 212.04734411
Names & identifiers
- Preferred name
- 1H,3H-Naphtho(1,8-cd)pyran-1,3-dione, methyl-
- IUPAC
- 6-methyl-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene-2,4-dione
Names & synonyms
79075-22-21H,3H-Naphtho(1,8-cd)pyran-1,3-dione, methyl-4-methyl-1H,3H-benzo[de]isochromene-1,3-dioneDTXSID1010002484-Methyl-1H,3H-naphtho[1,8-cd]pyran-1,3-dione
Database identifiers
- CAS
79075-22-2- PubChem CID
- 54342
- DTXSID
DTXSID101000248
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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