Methyl 7-methoxy-2-oxo-2,3,4,5-tetrahydro-3ah-cyclopenta[a]naphthalene-3a-carboxylate

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Basic information

CAS: 27752-29-0
Standard SMILES: COC(=O)C12CCc3cc(OC)ccc3C1=CC(=O)C2
InChIKey: VMPSZQWRHSUGEL-UHFFFAOYSA-N
Molecular formula: C16H16O4
Average molar mass: 272.29 g/mol
Monoisotopic mass: 272.10485899

Names & identifiers

Preferred name: Methyl 7-methoxy-2-oxo-2,3,4,5-tetrahydro-3ah-cyclopenta[a]naphthalene-3a-carboxylate
IUPAC: methyl 7-methoxy-2-oxo-4,5-dihydro-3H-cyclopenta[a]naphthalene-3a-carboxylate

Names & synonyms

MLS00310638727752-29-0NSC152875methyl 7-methoxy-2-oxo-2,3,4,5-tetrahydro-3ah-cyclopenta[a]naphthalene-3a-carboxylateCHEMBL2132875DTXSID80302711NSC-152875SMR001821293

Database identifiers

CAS: 27752-29-0
PubChem CID: 290149
DTXSID: DTXSID80302711
ChEMBL: CHEMBL2132875

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 52.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 20
Formal charge: 0
Complexity: 467

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Compound notes

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