Methyl 4-chloro-3-methoxycrotonate

C₆H₉ClO₃CAS 85153-60-2164.58 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Ester Ether

Properties

Molecular formula: C₆H₉ClO₃
Molar mass: 164.58 g/mol
Exact mass: 164.0240 Da
logP: 0.93Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 3

Identifiers

CAS number

85153-60-2

SMILES

COC(=O)C=C(CCl)OC

InChIKey

JNYMRXDQVPIONI-UHFFFAOYSA-N

InChI

InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3

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

Names and synonyms

2 names

2-Butenoic acid, 4-chloro-3-methoxy-, methyl ester
Methyl 4-chloro-3-methoxy-2-butenoate

Work with Methyl 4-chloro-3-methoxycrotonate

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-methyl-2-butenoate924-50-548 % similar Methyl chloroacetate96-34-445 % similar Dimethyl maleate624-48-644 % similar Dimethyl fumarate624-49-744 % similar Methyl 3-amino-2-butenoate14205-39-144 % similar Dimethyl-1,3-di(carbomethoxy)-1-propen-2-yl phosphate122-10-141 % similar Methyl glyoxylate922-68-941 % similar Methyl E-crotonate623-43-840 % similar

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

Same formula

Ethyl succinyl chloride14794-31-1 Methyl 4-(chloroformyl)butyrate1501-26-4 2-(Acetyloxy)-2-methylpropanoyl chloride40635-66-3 Ethyl 2-chloroacetoacetate609-15-4 Ethyl 4-chloroacetoacetate638-07-3

Elsewhere

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