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53882-81-8 molecular structure
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3-(3-methylphenyl)-3-oxopropanenitrile

ChemBase ID: 88567
Molecular Formular: C10H9NO
Molecular Mass: 159.18456
Monoisotopic Mass: 159.06841391
SMILES and InChIs

SMILES:
N#CCC(=O)c1cc(ccc1)C
Canonical SMILES:
N#CCC(=O)c1cccc(c1)C
InChI:
InChI=1S/C10H9NO/c1-8-3-2-4-9(7-8)10(12)5-6-11/h2-4,7H,5H2,1H3
InChIKey:
IVLKDYOTZMFMLO-UHFFFAOYSA-N

Cite this record

CBID:88567 http://www.chembase.cn/molecule-88567.html

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