p-Coumaric acid
Properties
- Molecular formula
- C9H8O3
- Molar mass
- 164.16 g/mol
- Exact mass
- 164.0473 Da
- Melting point
- 211.5 °C
- logP
- 1.49Crippen estimate
- Polar surface area
- 57.5 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
Danger
- H301+H311 Toxic if swallowed or in contact with skin63.6% of notifiers
- H301 Toxic if swallowed68.2% of notifiers
- H311 Toxic in contact with skin68.2% of notifiers
- H314 Causes severe skin burns and eye damage68.2% of notifiers
- H315 Causes skin irritation31.8% of notifiers
- H317 May cause an allergic skin reaction68.2% of notifiers
- H318 Causes serious eye damage63.6% of notifiers
- H319 Causes serious eye irritation31.8% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P262, P264, P264+P265, P270, P271, P272, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
7400-08-0SMILES
O=C(O)C=Cc1ccc(O)cc1InChIKey
NGSWKAQJJWESNS-UHFFFAOYSA-NInChI
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
13 names · show all
- 2-Propenoic acid, 3-(4-hydroxyphenyl)-
- Cinnamic acid, p-hydroxy-
- 3-(4-Hydroxyphenyl)-2-propenoic acid
- p-Hydroxycinnamic acid
- p-Hydroxyphenylacrylic acid
- 4-Hydroxycinnamic acid
- p-Cumaric acid
- β-[4-Hydroxyphenyl]acrylic acid
- 4-Coumaric acid
- 4′-Hydroxycinnamic acid
- NSC 59260
- NSC 674321
- 3-(4-Hydroxyphenyl)acrylic acid
Work with p-Coumaric acid
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
p-Phenylenediacrylic acid16323-43-680 % similar
4-Bromocinnamic acid1200-07-370 % similar
3-(4-Formylphenyl)-2-propenoic acid23359-08-267 % similar
Cinnamic acid140-10-366 % similar
1,5-Bis(4-hydroxyphenyl)-1,4-pentadien-3-one3654-49-766 % similar
Cinnamic acid621-82-966 % similar
trans-4-Fluorocinnamic acid14290-86-965 % similar
4-Chlorocinnamic acid1615-02-765 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.