6-Methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carbonitrile

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Basic information

CAS: 74039-98-8
Standard SMILES: COc1ccc2c(c1)CCC(C)(C#N)C2=O
InChIKey: QZPFTYMMXQGPHQ-UHFFFAOYSA-N
Molecular formula: C13H13NO2
Average molar mass: 215.25 g/mol
Monoisotopic mass: 215.09462866

Names & identifiers

Preferred name: 6-Methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carbonitrile
IUPAC: 6-methoxy-2-methyl-1-oxo-3,4-dihydronaphthalene-2-carbonitrile

Names & synonyms

6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydronaphthalene-2-carbonitrile74039-98-8NSC1517666-methoxy-2-methyl-1-oxo-3,4-dihydronaphthalene-2-carbonitrileDTXSID90302525NSC-151766

Database identifiers

CAS: 74039-98-8
PubChem CID: 289588
DTXSID: DTXSID90302525

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 50.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 16
Formal charge: 0
Complexity: 343

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