2,3-Dimethoxy-5-methyl-1,4-benzoquinone
C9H10O4
605-94-7 Copyright (C) 2025 ACS
 13 13  0  0  0  0  0  0  0  0999 V2000
    0.7700    4.0012    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    6.6687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    1.3338    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9302    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3101    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0801    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    2.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6201    5.3348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3901    4.0012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  5 10  2  0  0  0  0
  6 11  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 13  2  0  0  0  0
M  END
> <cas.rn>
605-94-7

> <ca.index.name>
2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-5-methyl-

> <molecular.formula>
C9H10O4

> <smiles.canonical>
O=C1C=C(C(=O)C(OC)=C1OC)C

> <molecular.weight>
182.17

> <melting.point.experimental>
59-60 °C

> <boiling.point.predicted>
331.358±42.00 °C    Press: 760.00 Torr

> <density.predicted>
1.200±0.10 g/cm3    Temp: 25 °C; Press: 760 Torr

$$$$
