Methyl 3,5-dihydroxyphenylacetate

C9H10O4CAS 4724-10-1182.18 g/mol

Open in Covalent MOL file
OOOHOH
EsterPhenol

Properties

Molecular formula
C9H10O4
Molar mass
182.18 g/mol
Exact mass
182.0579 Da
logP
0.81Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 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
4724-10-1
SMILES
COC(=O)CC1=CC(=CC(=C1)O)O
InChIKey
LMLSBPHXMGSGCR-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O4/c1-13-9(12)4-6-2-7(10)5-8(11)3-6/h2-3,5,10-11H,4H2,1H3

Weigh it out

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

Work with Methyl 3,5-dihydroxyphenylacetate

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

Methyl 3-hydroxyphenylacetate42058-59-371 % similar Methyl (4-hydroxyphenyl)acetate14199-15-669 % similar Methyl phenylacetate101-41-755 % similar Methyl (4-bromophenyl)acetate41841-16-154 % similar Methyl 3-(4-hydroxyphenyl)propionate5597-50-253 % similar 3,5-Dihydroxyphenylacetic acid4670-09-152 % similar p-Tolylacetic acid methyl ester23786-13-251 % similar Methyl 4-pyridineacetate29800-89-351 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxymandelic acid10502-44-0 Dihydrocaffeic acid1078-61-1 3-Hydroxy-4-methoxybenzeneacetic acid1131-94-8 3,5-Dimethoxybenzoic acid1132-21-4 5-Norbornene-2-endo,3-exo-dicarboxylic acid1200-88-0 Syringaldehyde134-96-3 2,6-Dimethoxybenzoic acid1466-76-8 2,3-Dimethoxybenzoic acid1521-38-6

Elsewhere

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