chempirical

3-Furanacrylic acid

C7H6O3CAS 39244-10-5138.12 g/mol

Open in Covalent MOL file
OHOO
AlkeneCarboxylic acid

Properties

Molecular formula
C7H6O3
Molar mass
138.12 g/mol
Exact mass
138.0317 Da
Melting point
153–155 °C
logP
1.38Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Identifiers

CAS number
39244-10-5
SMILES
O=C(O)C=Cc1ccoc1
InChIKey
JHAPZUDWRRBZHZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6O3/c8-7(9)2-1-6-3-4-10-5-6/h1-5H,(H,8,9)

Weigh it out

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

Names and synonyms

6 names
  • 2-Propenoic acid, 3-(3-furanyl)-
  • 3-(3-Furanyl)-2-propenoic acid
  • 3-(3-Furyl)acrylic acid
  • 3-Furylacrylic acid
  • 3-(3-Furyl)-2-propenoic acid
  • 3-Furan-3-yl-acrylic acid

Work with 3-Furanacrylic 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

P-Phenylenediacrylic acid16323-43-662 % similar Cinnamic acid140-10-356 % similar Cinnamic acid621-82-956 % similar 3-(4-Formylphenyl)-2-propenoic acid23359-08-253 % similar P-Coumaric acid501-98-453 % similar 3-(4-Pyridinyl)-2-propenoic acid5337-79-153 % similar P-Coumaric acid7400-08-053 % similar Caffeic acid331-39-553 % similar

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

Same formula

2,5-Dihydroxybenzaldehyde1194-98-5 Protocatechuic aldehyde139-85-5 2,3-Dihydroxybenzaldehyde24677-78-9 3,5-Dihydroxybenzaldehyde26153-38-8 2,6-Dihydroxybenzaldehyde387-46-2 Sesamol533-31-3 Furylacrylic acid539-47-9 Salicylic acid69-72-7

Elsewhere

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