Guaiacol carbonate

C15H14O5CAS 553-17-3274.27 g/mol

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CarbonateEther

Properties

Molecular formula
C15H14O5
Molar mass
274.27 g/mol
Exact mass
274.0841 Da
Melting point
89 °C
logP
3.28Crippen estimate
Polar surface area
54.0 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Hazards

Not classified as hazardous under GHS by 2 ECHA notifiers. Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
553-17-3
SMILES
COc1ccccc1OC(=O)Oc1ccccc1OC
InChIKey
ORUJFMPWKPVXLZ-UHFFFAOYSA-N
InChI
InChI=1S/C15H14O5/c1-17-11-7-3-5-9-13(11)19-15(16)20-14-10-6-4-8-12(14)18-2/h3-10H,1-2H3

Weigh it out

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

Names and synonyms

14 names · show all
  • Phenol, 2-methoxy-, carbonate (2:1)
  • Carbonic acid, bis(o-methoxyphenyl) ester
  • Phenol, o-methoxy-, carbonate
  • Bis-o-methoxyphenyl carbonate
  • Carbonic acid bis(2-methoxyphenyl) ester
  • Duotal
  • Guaiacol carbonic acid neutral ester
  • Di-o-methoxyphenyl carbonate
  • Tussophob
  • Bis(2-methoxyphenyl) carbonate
  • Carbonic acid guiacol ether
  • Diguaiacyl carbonate
  • NSC 37138
  • NSC 3798

Work with Guaiacol carbonate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Methoxyphenyl acetate15212-03-066 % similar Guaiacol benzoate531-37-361 % similar 1,2-Dimethoxybenzene91-16-761 % similar Guacetisal55482-89-851 % similar 2'-Methoxyacetophenone579-74-850 % similar Dimethyl 2-(2-methoxyphenoxy)malonate150726-89-949 % similar N-(2-Methoxyphenyl)maleimide17392-68-649 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-949 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,2′-Dihydroxy-4,4′-dimethoxybenzophenone131-54-4 (3aR,4R,5R,6aS)-5-(Benzoyloxy)hexahydro-2-oxo-2H-cyclopenta[b]furan-4-carboxaldehyde39746-01-5 Methysticin495-85-2 Phloretin60-82-2 Phenyl 2-hydroxy-4,5-dimethoxybenzoate877997-98-3

Elsewhere

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