Basic information
- CAS
81194-55-0- Standard SMILES
COc1ccc(OC(=O)c2ccccc2)c2c1C(=O)C=CC2=O- InChIKey
PSQRLSBGVBCZDG-UHFFFAOYSA-N- Molecular formula
- C18H12O5
- Average molar mass
- 308.3 g/mol
- Monoisotopic mass
- 308.06847348
Names & identifiers
- Preferred name
- (4-Methoxy-5,8-dioxonaphthalen-1-yl) benzoate
- IUPAC
- (4-methoxy-5,8-dioxonaphthalen-1-yl) benzoate
Names & synonyms
81194-55-0(4-methoxy-5,8-dioxonaphthalen-1-yl) benzoateNSC339304DTXSID703190701, 5-hydroxy-8-methoxy-, benzoateNSC-339304DS-0084401,4-Naphthalenedione, 5-hydroxy-8-methoxy-, benzoate4-Methoxy-5,8-dioxo-5,8-dihydronaphthalen-1-yl benzoate
Database identifiers
- CAS
81194-55-0- PubChem CID
- 334362
- DTXSID
DTXSID70319070
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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