Methyl p-coumarate
Properties
- Molecular formula
- C10H10O3
- Molar mass
- 178.19 g/mol
- Exact mass
- 178.0630 Da
- Melting point
- 139–140 °C
- logP
- 1.58Crippen estimate
- Polar surface area
- 46.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 2
Hazards
Warning
- H317 May cause an allergic skin reaction98.2% of notifiers
- H412 Harmful to aquatic life with long lasting effects98.2% of notifiers
Aggregated from 111 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P501
Identifiers
CAS number
3943-97-3SMILES
COC(=O)C=Cc1ccc(O)cc1InChIKey
NITWSHWHQAQBAW-UHFFFAOYSA-NInChI
InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
11 names
- 2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
- Cinnamic acid, p-hydroxy-, methyl ester
- Methyl p-hydroxycinnamate
- Methyl 4-hydroxycinnamate
- 4-Hydroxycinnamic acid methyl ester
- p-Hydroxycinnamic acid methyl ester
- p-Coumaric acid methyl ester
- Methyl 4-coumarate
- 3-(4-Hydroxyphenyl)-2-propenoic acid methyl ester
- NSC 154578
- Methyl 3-(4-hydroxyphenyl)acrylate
Work with Methyl p-coumarate
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Methyl (2E)-3-(4-methylphenyl)-2-propenoate20754-20-568 % similar
Methyl 3-(4-formylphenyl)-2-propenoate7560-50-168 % similar
Methyl cinnamate103-26-467 % similar
Methyl 3-(4-chlorophenyl)-2-propenoate7560-44-366 % similar
4-Methoxycinnamate methyl ester832-01-966 % similar
Methyl caffeate3843-74-165 % similar
Methyl 2,5-dihydroxycinnamate63177-57-162 % similar
Methyl 3-[4-(bromomethyl)phenyl]-2-propenoate946-99-661 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.