chempirical

Methyl 3-hydroxyphenylacetate

C9H10O3CAS 42058-59-3166.18 g/mol

Open in Covalent MOL file
OOOH
EsterPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
logP
1.11Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
42058-59-3
SMILES
COC(=O)CC1=CC(=CC=C1)O
InChIKey
AMDDOQIUPAINLH-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5,10H,6H2,1H3

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Names and synonyms

1 names
  • 3-Hydroxyphenylacetic acid methyl ester

Work with Methyl 3-hydroxyphenylacetate

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 3,5-dihydroxyphenylacetate4724-10-171 % similar Methyl (4-hydroxyphenyl)acetate14199-15-666 % similar Methyl 3-fluorophenylacetate64123-77-965 % similar Methyl 2-(3-bromophenyl)acetate150529-73-063 % similar Methyl 3-methoxyphenylacetate18927-05-463 % similar Methyl phenylacetate101-41-762 % similar 3′-Hydroxyphenylacetic acid621-37-457 % similar Methyl 2-(3,4-dichlorophenyl)acetate6725-44-656 % similar

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

Same formula

2',4'-Dihydroxy-3'-methylacetophenone10139-84-1 (4-Methoxyphenyl)acetic acid104-01-8 Ethyl salicylate118-61-6 Veratraldehyde120-14-9 Ethylparaben120-47-8 Ethylvanillin121-32-4 Methyl anisate121-98-2 2-Ethoxybenzoic acid134-11-2

Elsewhere

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