2,3-Dimethoxy-2,5-cyclohexadiene-1,4-dione
Properties
- Molecular formula
- C8H8O4
- Molar mass
- 168.15 g/mol
- Exact mass
- 168.0423 Da
- Melting point
- 66–67 °C
- logP
- 0.20Crippen estimate
- Polar surface area
- 52.6 Ų
- H-bond donors / acceptors
- 0 / 4
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
3117-02-0SMILES
COC1=C(OC)C(=O)C=CC1=OInChIKey
NADHCXOXVRHBHC-UHFFFAOYSA-NInChI
InChI=1S/C8H8O4/c1-11-7-5(9)3-4-6(10)8(7)12-2/h3-4H,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- 2,5-Cyclohexadiene-1,4-dione, 2,3-dimethoxy-
- p-Benzoquinone, 2,3-dimethoxy-
- Quinone, 2,3-dimethoxy-
- 2,3-Dimethoxybenzoquinone
- 2,3-Dimethoxyquinone
- 2,3-Dimethoxy-1,4-benzoquinone
- 2,3-Dimethoxy-p-benzoquinone
- NSC 56335
Work with 2,3-Dimethoxy-2,5-cyclohexadiene-1,4-dione
Similar compounds
2,3-Dimethoxy-5-methyl-1,4-benzoquinone605-94-750 % similar
Dimethyl maleate624-48-645 % similar
Dimethyl fumarate624-49-745 % similar
Methyl crotonate623-43-840 % similar
Dimethyl oxalate553-90-238 % similar
Dimethyl carbonate616-38-638 % similar
Methyl 3-methoxyacrylate34846-90-737 % similar
Methyl trans-β-methoxyacrylate5788-17-037 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.