Ethyl 2-(8-methoxy-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-2-yl)-2-oxoacetate

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Basic information

CAS: 72907-96-1
Standard SMILES: CCOC(=O)C(=O)C1Cc2ccc3ccc(OC)cc3c2C1=O
InChIKey: LZPITIRNPSJSRI-UHFFFAOYSA-N
Molecular formula: C18H16O5
Average molar mass: 312.3 g/mol
Monoisotopic mass: 312.09977361

Names & identifiers

Preferred name: Ethyl 2-(8-methoxy-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-2-yl)-2-oxoacetate
IUPAC: ethyl 2-(8-methoxy-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-2-yl)-2-oxoacetate

Names & synonyms

72907-96-1NSC325669ethyl 2-(8-methoxy-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-2-yl)-2-oxoacetateDTXSID00318071NSC-325669Ethyl (8-methoxy-1-oxo-2,3-dihydro-1H-cyclopenta[a]naphthalen-2-yl)(oxo)acetate

Database identifiers

CAS: 72907-96-1
PubChem CID: 331645
DTXSID: DTXSID00318071

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 69.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 23
Formal charge: 0
Complexity: 500

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