chempirical

3′,4′-Methylenedioxycinnamic acid

C10H8O4CAS 2373-80-0192.17 g/mol

Open in Covalent MOL file
OHOOO
AcetalAlkeneCarboxylic acidEther

Properties

Molecular formula
C10H8O4
Molar mass
192.17 g/mol
Exact mass
192.0423 Da
Melting point
243 °C (decomposes)
logP
1.51Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
2373-80-0
SMILES
O=C(O)C=Cc1ccc2c(c1)OCO2
InChIKey
QFQYZMGOKIROEC-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O4/c11-10(12)4-2-7-1-3-8-9(5-7)14-6-13-8/h1-5H,6H2,(H,11,12)

Weigh it out

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

Names and synonyms

11 names
  • 2-Propenoic acid, 3-(1,3-benzodioxol-5-yl)-
  • 3,4-(Methylenedioxy)cinnamic acid
  • 3-(3,4-Methylenedioxyphenyl)propenoic acid
  • Piperonylideneacetic acid
  • NSC 5953
  • 3-(1,3-Benzodioxol-5-yl)acrylic acid
  • 3-(Benzodioxol-5-yl)acrylic acid
  • Cinnamic acid, 3,4-(methylenedioxy)-
  • 3-(1,3-Benzodioxol-5-yl)-2-propenoic acid
  • 3,4-(Methylenedioxy)benzene-3-acrylic acid
  • Cinnamic acid, 3,4-[methylenebis(oxy)]-

Work with 3′,4′-Methylenedioxycinnamic 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

3,4-Dimethoxycinnamic acid14737-89-464 % similar 3′,4′-Dimethoxycinnamic acid2316-26-964 % similar Heliotropyl acetone3160-37-064 % similar P-Phenylenediacrylic acid16323-43-658 % similar Ferulic acid1135-24-656 % similar Isoferulic acid537-73-556 % similar Ferulic acid537-98-456 % similar 3-[4-(Acetyloxy)-3-methoxyphenyl]-2-propenoic acid2596-47-654 % similar

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

Same formula

Noreugenin1013-69-0 5-Methoxybenzofuran-2-carboxylic acid10242-08-7 4-(2-Carboxyethenyl)benzoic acid19675-63-9 5,7-Dihydroxy-4-methylcoumarin2107-76-8 7,8-Dihydroxy-4-methylcoumarin2107-77-9 1,3-Dihydro-3-oxo-1-isobenzofuranacetic acid4743-58-2 4-Methylesculetin529-84-0 Furoin552-86-3

Elsewhere

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