chempirical

1,2,3-Trimethoxybenzene

C9H12O3CAS 634-36-6168.19 g/mol

Open in Covalent MOL file
OOO
Ether

Properties

Molecular formula
C9H12O3
Molar mass
168.19 g/mol
Exact mass
168.0786 Da
Melting point
48.5 °C
Boiling point
235 °C
logP
1.71Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Identifiers

CAS number
634-36-6
SMILES
COc1cccc(OC)c1OC
InChIKey
CRUILBNAQILVHZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H12O3/c1-10-7-5-4-6-8(11-2)9(7)12-3/h4-6H,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • Benzene, 1,2,3-trimethoxy-
  • Pyrogallol trimethyl ether
  • Tri-O-methylpyrogallol
  • 3,4,5-Trimethoxybenzole
  • NSC 10124
  • Pyrogallol trimethoxy ether
  • 1,2,6-Trimethoxybenzene
  • Methylsyringol

Work with 1,2,3-Trimethoxybenzene

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dimethoxytoluene4463-33-670 % similar 2,3-Dimethoxyphenol5150-42-567 % similar 1,2-Dimethoxybenzene91-16-763 % similar 2,3-Dimethoxybenzylamine4393-09-359 % similar 2,3-Dimethoxybenzonitrile5653-62-359 % similar 2,3-Dimethoxybenzaldehyde86-51-159 % similar 2,6-Dimethoxytoluene5673-07-459 % similar 2-Bromo-1,3-dimethoxybenzene16932-45-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2-furanpropanoate10031-90-0 1,2,4-Trimethoxybenzene135-77-3 Rikacid mh19438-60-9 Homovanillyl alcohol2380-78-1 2,5-Dimethoxybenzyl alcohol33524-31-1 3-Phenoxy-1,2-propanediol538-43-2 2,3-Dimethoxybenzyl alcohol5653-67-8 8-Oxaspiro[4.5]decane-7,9-dione5662-95-3

Elsewhere

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