4-(3-(Acryloyloxy)propoxy)benzoic acid

C₁₃H₁₄O₅CAS 245349-46-6250.25 g/mol

Open in Covalent MOL file

Alkene Carboxylic acid Ester Ether

Properties

Molecular formula: C₁₃H₁₄O₅
Molar mass: 250.25 g/mol
Exact mass: 250.0841 Da
logP: 1.88Crippen estimate
Polar surface area: 72.8 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 7

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

245349-46-6

SMILES

C=CC(=O)OCCCOC1=CC=C(C=C1)C(=O)O

InChIKey

AHBWYWGJQFTBRO-UHFFFAOYSA-N

InChI

InChI=1S/C13H14O5/c1-2-12(14)18-9-3-8-17-11-6-4-10(5-7-11)13(15)16/h2,4-7H,1,3,8-9H2,(H,15,16)

Weigh it out

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Names and synonyms

1 names

4-(3-Acryloyloxy-N-prop-1-yloxy)benzoic acid

Work with 4-(3-(Acryloyloxy)propoxy)benzoic acid

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

4-(4-Acryloxy-butyl-1-oxy)-benzoic acid69260-42-095 % similar 4-((11-(Acryloyloxy)undecyl)oxy)benzoic acid106620-90-093 % similar 4-[[6-[(1-Oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoic acid83883-26-593 % similar 6-(4-Hydroxyphenoxy)hexyl prop-2-enoate161841-12-964 % similar 4-Butoxybenzoic acid1498-96-057 % similar 4-[4-[(1-Oxo-2-propenyl)oxy]butoxy]benzoic acid [1,1'-biphenyl]-4-yl ester245760-39-857 % similar 4-Methoxyphenyl 4-[[6-[(1-oxo-2-propen-1-yl)oxy]hexyl]oxy]benzoate82200-53-157 % similar 4-([6-(Methacryloyloxy)hexyl]oxy)benzenecarboxylic acid91652-00-556 % similar

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

Same formula

1-[4-(Acetyloxy)-3-[(acetyloxy)methyl]phenyl]ethanone24085-06-1 Pmk ethyl glycidate28578-16-7 Citrinin518-75-2 1,3-Dimethyl 2-[(4-methoxyphenyl)methylene]propanedioate7443-25-6

Elsewhere

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