7-(Naphthalen-2-yl)-4,7-dioxoheptanoic acid
Basic information
- CAS
57877-42-6- Standard SMILES
O=C(O)CCC(=O)CCC(=O)c1ccc2ccccc2c1- InChIKey
DYCJYDMZSMZGKV-UHFFFAOYSA-N- Molecular formula
- C17H16O4
- Average molar mass
- 284.31 g/mol
- Monoisotopic mass
- 284.10485899
Names & identifiers
- Preferred name
- 7-(Naphthalen-2-yl)-4,7-dioxoheptanoic acid
- IUPAC
- 7-naphthalen-2-yl-4,7-dioxoheptanoic acid
Names & synonyms
7-(naphthalen-2-yl)-4,7-dioxoheptanoic acid57877-42-6NSC112915CHEMBL491756DTXSID80296969NSC-112915DS-0060207-naphthalen-2-yl-4,7-dioxo-heptanoic acid
Database identifiers
- CAS
57877-42-6- PubChem CID
- 270484
- DTXSID
DTXSID80296969- ChEMBL
CHEMBL491756
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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