2-Methoxycarbonylmethoxyimino-4-chloro-3-oxobutyric acid

C₇H₈ClNO₆CAS 84080-70-6237.59 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ester Ketone Oxime

Properties

Molecular formula: C₇H₈ClNO₆
Molar mass: 237.59 g/mol
Exact mass: 237.0040 Da
logP: -0.58Crippen estimate
Polar surface area: 102.3 Å²
H-bond donors / acceptors: 1 / 6
Rotatable bonds: 6
Double bonds: ZE/Z, in SMILES order

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

84080-70-6

SMILES

COC(=O)CO/N=C(/C(=O)CCl)\C(=O)O

InChIKey

VKFHPXSFQRCNQW-TWGQIWQCSA-N

InChI

InChI=1S/C7H8ClNO6/c1-14-5(11)3-15-9-6(7(12)13)4(10)2-8/h2-3H2,1H3,(H,12,13)/b9-6-

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

(Z)-4-Chloro-2-((2-methoxy-2-oxoethoxy)imino)-3-oxobutanoic acid

Work with 2-Methoxycarbonylmethoxyimino-4-chloro-3-oxobutyric acid

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 chloroacetate96-34-442 % similar Methyl 4-chloroacetoacetate32807-28-637 % similar Methyl methoxyacetate6290-49-935 % similar (R)-4-Chloro-3-hydroxybutyric acid methyl ester88496-70-232 % similar Methyl 4-chlorobutyrate3153-37-532 % similar Monomethyl succinate3878-55-532 % similar Methyl glycolate96-35-532 % similar Dimethyl 2-oxoglutarate13192-04-631 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook