Sinapinic acid
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
Hazards
Warning
- H315 Causes skin irritation99.5% of notifiers
- H319 Causes serious eye irritation99.5% of notifiers
- H335 May cause respiratory irritation99% of notifiers
Aggregated from 200 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
530-59-6SMILES
COc1cc(C=CC(=O)O)cc(OC)c1OInChIKey
PCMORTLOPMLEFB-UHFFFAOYSA-NInChI
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)Weigh it out
Type any one amount. The others follow from the molar mass.
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
Similar compounds
3-Bromo-4-hydroxy-5-methoxycinnamic acid6948-33-079 % similar
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
Tanimoto similarity of circular fingerprints over the whole catalogue.