Basic information
- Standard SMILES
O=C(O)C(=O)c1ccc(OCC(=O)c2ccc3ccccc3c2)cc1- InChIKey
CLMATXKMRMPXIL-UHFFFAOYSA-N- Molecular formula
- C20H14O5
- Average molar mass
- 334.3 g/mol
- Monoisotopic mass
- 334.08412354
Names & identifiers
- Preferred name
- 4-[2-(2-Naphthalenyl)-2-oxoethoxy]-alpha-oxobenzeneacetic acid
- IUPAC
- 2-[4-(2-naphthalen-2-yl-2-oxoethoxy)phenyl]-2-oxoacetic acid
Names & synonyms
SCHEMBL9043678CLMATXKMRMPXIL-UHFFFAOYSA-N4-[2-(2-naphthalenyl)-2-oxoethoxy]-alpha-oxobenzeneacetic acid
Database identifiers
- PubChem CID
- 19004299
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 80.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 506
Related reactions
2 records
Compound notes
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