P-Coumaric acid

C9H8O3CAS 501-98-4164.16 g/mol

Open in Covalent MOL file
OHOOH
AlkeneCarboxylic acidPhenol

Properties

Molecular formula
C9H8O3
Molar mass
164.16 g/mol
Exact mass
164.0473 Da
Melting point
214 °C (decomposes)
logP
1.49Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 75 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
501-98-4
SMILES
O=C(O)/C=C/c1ccc(O)cc1
InChIKey
NGSWKAQJJWESNS-ZZXKWVIFSA-N
InChI
InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (2E)-
  • Cinnamic acid, p-hydroxy-, (E)-
  • 2-Propenoic acid, 3-(4-hydroxyphenyl)-, (E)-
  • (2E)-3-(4-Hydroxyphenyl)-2-propenoic acid
  • Naringeninic acid
  • trans-p-Coumaric acid
  • (E)-p-Coumaric acid
  • trans-p-Hydroxycinnamic acid
  • (E)-p-Hydroxycinnamic acid
  • trans-4-Hydroxycinnamic acid
  • p-Hydroxy-trans-cinnamic acid
  • (E)-3-(4-Hydroxyphenyl)-2-propenoic acid
  • trans-4-Coumaric acid
  • p-trans-Coumaric acid
  • (E)-4-Hydroxycinnamic acid
  • trans-3-(4-Hydroxyphenyl)-2-propenoic acid
  • (E)-3-(4-Hydroxyphenyl)acrylic acid
  • trans-p-Coumarinic acid
  • (2E)-3-(4-Hydroxyphenyl)prop-2-enoic acid

Work with P-Coumaric 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

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.

p-Coumaric acid7400-08-0Stereo not defined

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.

All similar compounds

Same formula

Carbic anhydride129-64-6 trans-3-Hydroxycinnamic acid14755-02-3 Methyl phenylglyoxylate15206-55-0 Phenylpyruvic acid156-06-9 Methyl 4-formylbenzoate1571-08-0 2,3-Dihydrobenzofuran-2-carboxylic acid1914-60-9 Himic anhydride2746-19-2 7-Methoxy-3H-isobenzofuran-1-one28281-58-5

Elsewhere

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