Methyl 2-benzylprop-2-enoate

C₁₁H₁₂O₂CAS 3070-71-1176.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₁H₁₂O₂
Molar mass: 176.22 g/mol
Exact mass: 176.0837 Da
logP: 1.96Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

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

3070-71-1

SMILES

COC(=O)C(=C)CC1=CC=CC=C1

InChIKey

DQQJYBYIABSMFM-UHFFFAOYSA-N

InChI

InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3

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Names and synonyms

1 names

Methyl 2-benzylacrylate

Work with Methyl 2-benzylprop-2-enoate

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 phenylacetate101-41-756 % similar 2-Benzylacrylic acid5669-19-253 % similar 2-Benzylacrylic acid62479-28-153 % similar Methyl 2-(bromomethyl)-2-propenoate4224-69-549 % similar Methyl phenylglyoxylate15206-55-047 % similar Dimethyl itaconate617-52-747 % similar Methyl 3-phenylpropionate103-25-346 % similar Benzyl methacrylate2495-37-645 % similar

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

Same formula

Ethyl cinnamate103-36-6 Cinnamyl acetate103-54-8 6-Methoxy-1-tetralone1078-19-9 5,6,7,8-Tetrahydro-2-naphthoic acid1131-63-1 3'-Allyl-4'-hydroxyacetophenone1132-05-4 8-Methoxy-3,4-dihydronaphthalen-1(2H)-one13185-18-7 Allyl phenylacetate1797-74-6 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-4

Elsewhere

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