chempirical

Sinapinic acid

C11H12O5CAS 530-59-6224.21 g/mol

Open in Covalent MOL file
OOOHOHO
AlkeneCarboxylic acidEtherPhenol

Properties

Molecular formula
C11H12O5
Molar mass
224.21 g/mol
Exact mass
224.0685 Da
Melting point
193.6–195.6 °C (decomposes)
logP
1.51Crippen estimate
Polar surface area
76.0 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
4

Identifiers

CAS number
530-59-6
SMILES
COc1cc(C=CC(=O)O)cc(OC)c1O
InChIKey
PCMORTLOPMLEFB-UHFFFAOYSA-N
InChI
InChI=1S/C11H12O5/c1-15-8-5-7(3-4-10(12)13)6-9(16-2)11(8)14/h3-6,14H,1-2H3,(H,12,13)

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Names and synonyms

8 names
  • 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-
  • Cinnamic acid, 4-hydroxy-3,5-dimethoxy-
  • 3-(4-Hydroxy-3,5-dimethoxyphenyl)-2-propenoic acid
  • Sinapic acid
  • 4-Hydroxy-3,5-dimethoxycinnamic acid
  • 3,5-Dimethoxy-4-hydroxycinnamic acid
  • Synapitic acid
  • NSC 59261

Work with Sinapinic 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

(E)-3,4,5-Trimethoxycinnamic acid20329-98-075 % similar 3,4,5-Trimethoxycinnamic acid90-50-675 % similar 3,4-Dimethoxycinnamic acid14737-89-468 % similar 3′,4′-Dimethoxycinnamic acid2316-26-968 % similar Ferulic acid1135-24-668 % similar Ferulic acid537-98-468 % similar 3-(3,5-Dimethoxyphenyl)-2-propenoic acid16909-11-865 % similar Isoferulic acid537-73-563 % similar

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

Same formula

4-Acetoxy-3,5-dimethoxybenzaldehyde53669-33-3

Elsewhere

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