CAS
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Specification
The molecular formula is C12H12O3.
The IUPAC name is 6-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde.
The InChI is InChI=1S/C12H12O3/c1-15-10-4-5-11-8(6-10)2-3-9(7-13)12(11)14/h4-7,9H,2-3H2,1H3.
The InChIKey is NTVKOYKLIKUWHM-UHFFFAOYSA-N.
The canonical SMILES is COC1=CC2=C(C=C1)C(=O)C(CC2)C=O.
The molecular weight is 204.22 g/mol.
The CAS number is 68950-67-4.
The XLogP3-AA value is 1.7.
It has 0 hydrogen bond donor counts.
It has 3 hydrogen bond acceptor counts.