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2-(4-Methylphenyl)-4H-Isoquinoline-1,3-Dione
[CAS# 73109-31-6]

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Identification
Name 2-(4-Methylphenyl)-4H-Isoquinoline-1,3-Dione
Synonyms 2-(4-Methylphenyl)-4H-Isoquinoline-1,3-Quinone; T0514-5162; Zinc03885192
Molecular Structure CAS#: 73109-31-6, 2-(4-Methylphenyl)-4H-Isoquinoline-1,3-Dione
Molecular Formula C16H13NO2
Molecular Weight 251.28
CAS Registry Number 73109-31-6
SMILES C3=C(N2C(C1=C(C=CC=C1)CC2=O)=O)C=CC(=C3)C
InChI 1S/C16H13NO2/c1-11-6-8-13(9-7-11)17-15(18)10-12-4-2-3-5-14(12)16(17)19/h2-9H,10H2,1H3
InChIKey NKALWHIBQTXTMK-UHFFFAOYSA-N
Properties
Density 1.252g/cm3 (Cal.)
Boiling point 459.572°C at 760 mmHg (Cal.)
Flash point 219.256°C (Cal.)
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