chempirical

Ethyl 3-ethoxy-2-propenoate

C7H12O3CAS 1001-26-9144.17 g/mol

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OOO
AlkeneEsterEther

Properties

Molecular formula
C7H12O3
Molar mass
144.17 g/mol
Exact mass
144.0786 Da
Density
0.994 g/mL (at 20 °C)
Boiling point
78.5–79 °C (at 10 Torr)
logP
1.10Crippen estimate
Polar surface area
35.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
1001-26-9
SMILES
CCOC=CC(=O)OCC
InChIKey
ITQFPVUDTFABDH-UHFFFAOYSA-N
InChI
InChI=1S/C7H12O3/c1-3-9-6-5-7(8)10-4-2/h5-6H,3-4H2,1-2H3

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Names and synonyms

7 names
  • 2-Propenoic acid, 3-ethoxy-, ethyl ester
  • Acrylic acid, 3-ethoxy-, ethyl ester
  • Ethyl β-ethoxyacrylate
  • Ethyl 3-ethoxyacrylate
  • NSC 6828
  • 3-Ethoxy-2-propenoic acid ethyl ester
  • 3-Ethoxyacrylic acid ethyl ester

Work with Ethyl 3-ethoxy-2-propenoate

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.

Ethyl (2E)-3-ethoxy-2-propenoate5941-55-9Defined stereoisomer

Similar compounds

Diethyl maleate141-05-974 % similar Diethyl fumarate623-91-674 % similar Ethyl trans-crotonate623-70-165 % similar Ethyl sorbate2396-84-159 % similar Ethyl (2E)-4-oxo-2-butenoate2960-66-959 % similar Ethyl 4-hydroxycrotonate10080-68-957 % similar Ethyl (2E)-3-(dimethylamino)-2-propenoate1117-37-957 % similar Monoethyl fumarate2459-05-457 % similar

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

Same formula

Methyl tetrahydropyran-4-carboxylate110238-91-0 4-(2-Hydroxypropoxy)-2-butyn-1-ol1606-79-7 Ethyl tetrahydrofuroate16874-34-3 4-Hydroxycyclohexanecarboxylic acid17419-81-7 Methyl tetrahydropyran-3-carboxylate18729-20-9 Ethyl 3-methyl-2-oxobutanoate20201-24-5 Butyl pyruvate20279-44-1 2H-Pyran-4-carboxylicacid,tetrahydro-4-methyl-(9ci)233276-38-5

Elsewhere

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