Acetylresorcinol

C8H8O3CAS 102-29-4152.15 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C8H8O3
Molar mass
152.15 g/mol
Exact mass
152.0473 Da
Boiling point
283 °C
logP
1.32Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 78 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number
102-29-4
SMILES
CC(=O)Oc1cccc(O)c1
InChIKey
ZZPKZRHERLGEKA-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3

Weigh it out

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

Names and synonyms

16 names · show all
  • 1,3-Benzenediol, 1-acetate
  • Resorcinol, monoacetate
  • 1,3-Benzenediol, monoacetate
  • Resorcinol, acetate
  • Euresol
  • m-Hydroxyphenyl acetate
  • Remonol
  • Resorcin acetate
  • Resorcin monoacetate
  • Resorcitate
  • 3-Acetoxyphenol
  • 3-(Acetyloxy)phenol
  • NSC 40511
  • Acetic acid 3-hydroxyphenyl ester
  • (3-Hydroxyphenyl) acetate
  • 3-Hydroxyphenyl acetate

Work with Acetylresorcinol

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

1,3-Dihydroxybenzene diacetate108-58-772 % similar 3-Methylphenyl acetate122-46-362 % similar 3-Fluorophenyl acetate701-83-762 % similar 3-(Acetyloxy)benzoic acid6304-89-859 % similar 1-[3-(Acetyloxy)phenyl]ethanone2454-35-558 % similar Phenyl acetate122-79-258 % similar 3-Hydroxyphenyl benzoate136-36-757 % similar 3-(Acetyloxy)benzaldehyde34231-78-257 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

p-Anisic acid100-09-4 Phenylglyoxal1075-06-5 Methyl salicylate119-36-8 3',4'-Dihydroxyacetophenone1197-09-7 Vanillin121-33-5 Phenoxyacetic acid122-59-8 ortho-Vanillin148-53-8 4-Hydroxyphenylacetic acid156-38-7

Elsewhere

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