chempirical

Trimethyl orthobenzoate

C10H14O3CAS 707-07-3182.22 g/mol

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OOO
AcetalEther

Properties

Molecular formula
C10H14O3
Molar mass
182.22 g/mol
Exact mass
182.0943 Da
Boiling point
87–88 °C
logP
1.74Crippen estimate
Polar surface area
27.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
707-07-3
SMILES
COC(OC)(OC)c1ccccc1
InChIKey
IECKAVQTURBPON-UHFFFAOYSA-N
InChI
InChI=1S/C10H14O3/c1-11-10(12-2,13-3)9-7-5-4-6-8-9/h4-8H,1-3H3

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Names and synonyms

7 names
  • Methyl orthobenzoate
  • Benzene, (trimethoxymethyl)-
  • Orthobenzoic acid, trimethyl ester
  • (Trimethoxymethyl)benzene
  • Trimethoxyphenylmethane
  • α,α,α-Trimethoxytoluene
  • NSC 67391

Work with Trimethyl orthobenzoate

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

1,1′-(Dimethoxymethylene)bis[benzene]2235-01-067 % similar Triethyl orthobenzoate1663-61-250 % similar 2,2-Dimethoxy-2-phenylacetophenone24650-42-845 % similar α-Methoxy-α-(trifluoromethyl)benzeneacetonitrile80866-87-145 % similar Dicumyl peroxide80-43-344 % similar 2,2-Diphenyloxirane882-59-744 % similar 2,3-Dimethyl-2,3-diphenylbutane1889-67-443 % similar Dimethyldiphenylmethane778-22-343 % similar

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

Same formula

1,1-Cyclohexane diacetic anhydride1010-26-0 3-(Benzyloxy)-1,2-propanediol13071-59-5 Vanillyl ethyl ether13184-86-6 2-(Phenylmethoxy)-1,3-propanediol14690-00-7 (-)-3-Benzyloxy-1,2-propanediol17325-85-8 Anisaldehyde dimethyl acetal2186-92-7 Dihydroconiferyl alcohol2305-13-7 Furfuryl pentanoate36701-01-6

Elsewhere

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