chempirical

Ethyl 2-(oxetan-3-ylidene)acetate

C7H10O3CAS 922500-91-2142.15 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterEther

Properties

Molecular formula
C7H10O3
Molar mass
142.15 g/mol
Exact mass
142.0630 Da
logP
0.51Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

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
922500-91-2
SMILES
CCOC(=O)C=C1COC1
InChIKey
CVZGHWOZWYWLBL-UHFFFAOYSA-N
InChI
InChI=1S/C7H10O3/c1-2-10-7(8)3-6-4-9-5-6/h3H,2,4-5H2,1H3

Weigh it out

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Work with Ethyl 2-(oxetan-3-ylidene)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

Ethyl cyclohexylideneacetate1552-92-763 % similar Ethyl 3,3-diethoxy-2-propenoate32002-24-761 % similar Ethyl 3,3-dimethylacrylate638-10-859 % similar Diethyl maleate141-05-956 % similar Diethyl fumarate623-91-656 % similar Ethyl 3-aminocrotonate626-34-653 % similar Ethyl β-aminocrotonate7318-00-553 % similar Ethyl glyoxylate924-44-752 % similar

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

Same formula

Methyl 2-oxocyclopentanecarboxylate10472-24-9 Glycidyl methacrylate106-91-2 Allyl acetoacetate1118-84-9 4-(Acetyloxy)-2-methyl-2-butenal14918-80-0 Ethyl 3-oxopent-4-enoate22418-80-0 5-Ethyl-4-hydroxy-2-methyl-3(2H)-furanone27538-09-6 Homofuraneol27538-10-9 2,2-Dimethylglutaric anhydride2938-48-9

Elsewhere

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