chempirical

Methyl 3-methoxyacrylate

C5H8O3CAS 34846-90-7116.12 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterEther

Properties

Molecular formula
C5H8O3
Molar mass
116.12 g/mol
Exact mass
116.0473 Da
logP
0.32Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2
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. Search the SDS library

Identifiers

CAS number
34846-90-7
SMILES
CO/C=C/C(=O)OC
InChIKey
AUTCCPQKLPMHDN-ONEGZZNKSA-N
InChI
InChI=1S/C5H8O3/c1-7-4-3-5(6)8-2/h3-4H,1-2H3/b4-3+

Weigh it out

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

Work with Methyl 3-methoxyacrylate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Methyl trans-β-methoxyacrylate5788-17-0

Similar compounds

Dimethyl maleate624-48-667 % similar Dimethyl fumarate624-49-767 % similar Methyl E-crotonate623-43-858 % similar Methyl 2,4-hexadienoate1515-80-652 % similar Monomethyl fumarate2756-87-850 % similar Monomethyl maleate3052-50-450 % similar 4-Methoxy-3-buten-2-one4652-27-150 % similar Methyl 4-bromo-2-butenoate1117-71-148 % similar

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

Same formula

Methyl acetoacetate105-45-3 Levulinic acid123-76-2 Methyl 4-oxobutanoate13865-19-5 Tetrahydro-2-furoic acid16874-33-2 Alpha-ketovaleric acid1821-02-9 3-Hydroxycyclobutanecarboxylic acid194788-10-8 3-Methyl-3-oxetanecarboxylic Acid28562-68-7 (S)-5-Hydroxymethyldihydrofuran-2-one32780-06-6

Elsewhere

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