Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate

C₁₁H₁₃NO₃CAS 120974-97-2207.23 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₃NO₃
Molar mass: 207.23 g/mol
Exact mass: 207.0895 Da
logP: 1.52Crippen estimate
Polar surface area: 47.9 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Identifiers

CAS number

120974-97-2

SMILES

CC1=CC=CC=C1/C(=N\OC)/C(=O)OC

InChIKey

YCINJZQUXAFTQD-ZRDIBKRKSA-N

InChI

InChI=1S/C11H13NO3/c1-8-6-4-5-7-9(8)10(12-15-3)11(13)14-2/h4-7H,1-3H3/b12-10+

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Names and synonyms

1 names

Methyl 2-(methoxyimino)-2-O-tolylacetate

Work with Methyl (2E)-(methoxyimino)(2-methylphenyl)acetate

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

Kresoxim-methyl143390-89-067 % similar Methyl 2-methylbenzoate89-71-454 % similar Methyl phenylglyoxylate15206-55-044 % similar Trifloxystrobin141517-21-743 % similar 2′-Methylacetophenone577-16-242 % similar 2-Carbomethoxy-6-methylaniline22223-49-042 % similar 2-Methylbenzoyl chloride933-88-041 % similar Methyl 2-bromo-3-methylbenzoate131001-86-041 % similar

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

Same formula

(-)-N-Acetylphenylalanine10172-89-1 Benzyl 3-hydroxyazetidine-1-carboxylate128117-22-6 (3,4,5-Trimethoxyphenyl)acetonitrile13338-63-1 Methylone186028-79-5 N-Acetyl-L-phenylalanine2018-61-3 N-Acetyl-dl-phenylalanine2901-75-9 N-(4-Methoxyphenyl)-3-oxobutanamide5437-98-9 O-Acetoacetanisidide92-15-9

Elsewhere

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