chempirical

Methyl 3-hydroxy-4-methylbenzoate

C9H10O3CAS 3556-86-3166.18 g/mol

Open in Covalent MOL file
OOHO
EsterPhenol

Properties

Molecular formula
C9H10O3
Molar mass
166.18 g/mol
Exact mass
166.0630 Da
logP
1.49Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

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
3556-86-3
SMILES
CC1=C(C=C(C=C1)C(=O)OC)O
InChIKey
GCSINTLJUNXLLU-UHFFFAOYSA-N
InChI
InChI=1S/C9H10O3/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5,10H,1-2H3

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Work with Methyl 3-hydroxy-4-methylbenzoate

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 3,4-dihydroxybenzoate2150-43-875 % similar Methyl 3,4-dimethylbenzoate38404-42-170 % similar Methyl 3-hydroxy-4-iodobenzoate157942-12-669 % similar Methyl 4-bromo-3-hydroxybenzoate106291-80-965 % similar Methyl 4-amino-3-hydroxybenzoate63435-16-565 % similar Methyl 3-hydroxy-4-methoxybenzoate6702-50-765 % similar 4-Hydroxyisophthalic acid dimethyl ester5985-24-064 % similar Methyl 3-iodo-4-methylbenzoate90347-66-364 % 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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