3-(3,4,5-Trimethoxyphenyl)propionic acid
Properties
- Molecular formula
- C12H16O5
- Molar mass
- 240.25 g/mol
- Exact mass
- 240.0998 Da
- Melting point
- 98 °C
- logP
- 1.73Crippen estimate
- Polar surface area
- 65.0 Ų
- H-bond donors / acceptors
- 1 / 4
- Rotatable bonds
- 6
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 4 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
25173-72-2SMILES
COc1cc(CCC(=O)O)cc(OC)c1OCInChIKey
ZCYXGVJUZBKJAI-UHFFFAOYSA-NInChI
InChI=1S/C12H16O5/c1-15-9-6-8(4-5-11(13)14)7-10(16-2)12(9)17-3/h6-7H,4-5H2,1-3H3,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzenepropanoic acid, 3,4,5-trimethoxy-
- Hydrocinnamic acid, 3,4,5-trimethoxy-
- 3,4,5-Trimethoxybenzenepropanoic acid
- 3,4,5-Trimethoxy-β-phenylpropionic acid
- 3,4,5-Trimethoxyphenylpropionic acid
- 3-(3,4,5-Trimethoxyphenyl)propanoic acid
- 3,4,5-Trimethoxyhydrocinnamic acid
- NSC 169988
Work with 3-(3,4,5-Trimethoxyphenyl)propionic acid
Similar compounds
3,4,5-Trimethoxyphenylacetic acid951-82-671 % similar
3-(3,4-Dimethoxyphenyl)propionic acid2107-70-270 % similar
3,5-Dimethoxyphenylpropionic acid717-94-267 % similar
Dihydroferulic acid1135-23-565 % similar
3-(4-Methoxyphenyl)propionic acid1929-29-959 % similar
3-(2,3-Dimethoxyphenyl)propanoic acid10538-48-459 % similar
3-(3-Methoxyphenyl)propionic acid10516-71-956 % similar
3-(2-Methoxyphenyl)propionic acid6342-77-455 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds