trans-3-Hydroxycinnamic acid

C9H8O3CAS 14755-02-3164.16 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
198 °C
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 44 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
14755-02-3
SMILES
O=C(O)/C=C/c1cccc(O)c1
InChIKey
KKSDGJDHHZEWEP-SNAWJCMRSA-N
InChI
InChI=1S/C9H8O3/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6,10H,(H,11,12)/b5-4+

Weigh it out

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

Names and synonyms

12 names
  • 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (2E)-
  • Cinnamic acid, m-hydroxy-, (E)-
  • 2-Propenoic acid, 3-(3-hydroxyphenyl)-, (E)-
  • (2E)-3-(3-Hydroxyphenyl)-2-propenoic acid
  • trans-m-Coumaric acid
  • trans-m-Hydroxycinnamic acid
  • (E)-3-Hydroxycinnamic acid
  • (E)-3-(3-Hydroxyphenyl)acrylic acid
  • trans-3-(m-Hydroxyphenyl)-2-propenoic acid
  • Rans-3-hydroxycinnamic acid
  • (E)-m-Coumaric acid
  • 3-Coumaric acid, (E)-

Work with trans-3-Hydroxycinnamic 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.

m-Coumaric acid588-30-7Stereo not defined

Similar compounds

m-Bromocinnamic acid14473-91-769 % similar 3-(3-Bromophenyl)-2-propenoic acid32862-97-869 % similar (2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-668 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-868 % similar (2E)-3-(3-Chlorophenyl)-2-propenoic acid14473-90-666 % similar 3-(3-Chlorophenyl)-2-propenoic acid1866-38-266 % similar 3-Methylcinnamic acid14473-89-364 % similar 3-(3-Methylphenyl)-2-propenoic acid3029-79-664 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Carbic anhydride129-64-6 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 2,3-Dihydro-1,4-benzodioxin-6-carbaldehyde29668-44-8

Elsewhere

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