Methyl 2-(1-hydroxy-3-methoxy-4-oxo-naphthalen-1-YL)acetate
Basic information
- CAS
83553-00-8- Standard SMILES
COC(=O)CC1(O)C=C(OC)C(=O)c2ccccc21- InChIKey
QHYSWWKPAJDXFR-UHFFFAOYSA-N- Molecular formula
- C14H14O5
- Average molar mass
- 262.26 g/mol
- Monoisotopic mass
- 262.08412354
Names & identifiers
- Preferred name
- Methyl 2-(1-hydroxy-3-methoxy-4-oxo-naphthalen-1-YL)acetate
- IUPAC
- methyl 2-(1-hydroxy-3-methoxy-4-oxonaphthalen-1-yl)acetate
Names & synonyms
83553-00-8METHYL 2-(1-HYDROXY-3-METHOXY-4-OXO-NAPHTHALEN-1-YL)ACETATENSC312325CHEMBL486994DTXSID70317177NSC-312325DS-011391Methyl (1-hydroxy-3-methoxy-4-oxo-1,4-dihydronaphthalen-1-yl)acetate
Database identifiers
- CAS
83553-00-8- PubChem CID
- 329445
- DTXSID
DTXSID70317177- ChEMBL
CHEMBL486994
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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