chempirical

Methyl 4-((hydroxyimino)methyl)-2-methylbenzoate

C10H11NO3CAS 1261169-50-9193.20 g/mol

Open in Covalent MOL file
NHOOO
EsterOxime

Properties

Molecular formula
C10H11NO3
Molar mass
193.20 g/mol
Exact mass
193.0739 Da
logP
1.59Crippen estimate
Polar surface area
58.9 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
1261169-50-9
SMILES
CC1=C(C=CC(=C1)/C=N/O)C(=O)OC
InChIKey
YDXABBILYJPATN-IZZDOVSWSA-N
InChI
InChI=1S/C10H11NO3/c1-7-5-8(6-11-13)3-4-9(7)10(12)14-2/h3-6,13H,1-2H3/b11-6+

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Work with Methyl 4-((hydroxyimino)methyl)-2-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 4-cyano-2-methylbenzoate103261-67-250 % similar Methyl 2-methylbenzoate89-71-449 % similar Methyl 2-hydroxy-p-toluate4670-56-847 % similar Methyl 2-hydroxy-4-iodobenzoate18179-39-046 % similar Methyl 2,4-dihydroxybenzoate2150-47-244 % similar Methyl 5-formylsalicylate41489-76-344 % similar Methyl o-cresotinate23287-26-543 % similar Methyl 5-bromo-2-methylbenzoate79669-50-443 % similar

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

Same formula

N-Benzoyl-dl-alanine1205-02-3 (3S)-7-Hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid128502-56-7 N-Formyl-L-phenylalanine13200-85-6 Ethyl oxanilate1457-85-8 N-Acetyl-dl-phenylglycine15962-46-6 Actarit18699-02-0 3,4,5-Trimethoxybenzonitrile1885-35-4 N-Benzoyl-L-alanine2198-64-3

Elsewhere

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