(1-Hydroxy-3,4-dioxo-3,4-dihydronaphthalen-2-yl)acetaldehyde
Basic information
- CAS
52422-60-3- Standard SMILES
O=CCC1=C(O)c2ccccc2C(=O)C1=O- InChIKey
UJPZANMCFSYCKC-UHFFFAOYSA-N- Molecular formula
- C12H8O4
- Average molar mass
- 216.19 g/mol
- Monoisotopic mass
- 216.04225873
Names & identifiers
- Preferred name
- (1-Hydroxy-3,4-dioxo-3,4-dihydronaphthalen-2-yl)acetaldehyde
- IUPAC
- 2-(1-hydroxy-3,4-dioxonaphthalen-2-yl)acetaldehyde
Names & synonyms
52422-60-3(1-hydroxy-3,4-dioxo-3,4-dihydronaphthalen-2-yl)acetaldehydeNSC135665CHEMBL485229DTXSID50300244NSC-135665
Database identifiers
- CAS
52422-60-3- PubChem CID
- 282285
- DTXSID
DTXSID50300244- ChEMBL
CHEMBL485229
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 380
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Compound notes
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