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

C11H13NO3CAS 120974-97-2207.23 g/mol

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NOOO
EsterOxime

Properties

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

Hazards

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

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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 o-Toluic acid118-90-141 % similar o-Toluamide527-85-541 % 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-Trimethoxyphenylacetonitrile13338-63-1 Methylone186028-79-5 N-Acetyl-L-phenylalanine2018-61-3 4-Benzyl-2-hydroxy-morpholin-3-one287930-73-8 N-Acetyl-DL-phenylalanine2901-75-9 2-Morpholinobenzoic acid42106-48-9

Elsewhere

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