Ethyl 2-(9-anthryl)-2-oxoacetate
Basic information
- CAS
160727-68-4- Standard SMILES
CCOC(=O)C(=O)c1c2ccccc2cc2ccccc12- InChIKey
NMSGHOZZHPACLJ-UHFFFAOYSA-N- Molecular formula
- C18H14O3
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.0942943
Names & identifiers
- Preferred name
- Ethyl 2-(9-anthryl)-2-oxoacetate
- IUPAC
- ethyl 2-anthracen-9-yl-2-oxoacetate
Names & synonyms
ethyl 2-(9-anthryl)-2-oxoacetate160727-68-4ethyl 2-(anthracen-9-yl)-2-oxoacetateethyl 2-anthracen-9-yl-2-oxoacetateNSC82370NCIOpen2_004263SCHEMBL27552823DTXSID70292415Ethyl (anthracen-9-yl)(oxo)acetateNSC-82370
Database identifiers
- CAS
160727-68-4- PubChem CID
- 256089
- DTXSID
DTXSID70292415- Nikkaji
- J2.525.760J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 381
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Compound notes
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