3,5-Diacetoxybenzoic acid

C11H10O6CAS 35354-29-1238.19 g/mol

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Carboxylic acidEster

Properties

Molecular formula
C11H10O6
Molar mass
238.19 g/mol
Exact mass
238.0477 Da
logP
1.24Crippen estimate
Polar surface area
89.9 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

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
35354-29-1
SMILES
CC(=O)OC1=CC(=CC(=C1)C(=O)O)OC(=O)C
InChIKey
QBTDQJMLMVEUTQ-UHFFFAOYSA-N
InChI
InChI=1S/C11H10O6/c1-6(12)16-9-3-8(11(14)15)4-10(5-9)17-7(2)13/h3-5H,1-2H3,(H,14,15)

Weigh it out

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Work with 3,5-Diacetoxybenzoic acid

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

3-(Acetyloxy)benzoic acid6304-89-871 % similar p-Acetoxybenzoic acid2345-34-869 % similar 5-Acetyl-1,3-phenylene diacetate35086-59-063 % similar 6-(Acetyloxy)-2-naphthalenecarboxylic acid17295-26-062 % similar 3,5-Dimethoxybenzoic acid1132-21-459 % similar 5-Methoxyisophthalic acid46331-50-455 % similar 1,3-Dihydroxybenzene diacetate108-58-753 % similar Hydroquinone diacetate1205-91-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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