(2E)-3-(3-Chlorophenyl)-2-propenoic acid

C9H7ClO2CAS 14473-90-6182.60 g/mol

Open in Covalent MOL file
OHOCl
AlkeneAryl halideCarboxylic acid

Properties

Molecular formula
C9H7ClO2
Molar mass
182.60 g/mol
Exact mass
182.0135 Da
Melting point
163 °C
logP
2.44Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
14473-90-6
SMILES
O=C(O)/C=C/c1cccc(Cl)c1
InChIKey
FFKGOJWPSXRALK-SNAWJCMRSA-N
InChI
InChI=1S/C9H7ClO2/c10-8-3-1-2-7(6-8)4-5-9(11)12/h1-6H,(H,11,12)/b5-4+

Weigh it out

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

Names and synonyms

11 names
  • 2-Propenoic acid, 3-(3-chlorophenyl)-
  • 2-Propenoic acid, 3-(3-chlorophenyl)-, (2E)-
  • Cinnamic acid, m-chloro-, (E)-
  • 2-Propenoic acid, 3-(3-chlorophenyl)-, (E)-
  • trans-m-Chlorocinnamic acid
  • trans-3-Chlorocinnamic acid
  • (E)-3-Chlorocinnamic acid
  • (E)-3-(3-Chlorophenyl)acrylic acid
  • trans-3-(3-Chlorophenyl)acrylic acid
  • trans-3-(3-Chlorophenyl)-2-propenoic acid
  • 3-Chloro-trans-cinnamic acid

Work with (2E)-3-(3-Chlorophenyl)-2-propenoic 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.

3-(3-Chlorophenyl)-2-propenoic acid1866-38-2Stereo not defined

Similar compounds

(2E)-3-(3-Fluorophenyl)-2-propenoic acid20595-30-668 % similar 3-(3-Fluorophenyl)-2-propenoic acid458-46-868 % similar trans-3-Hydroxycinnamic acid14755-02-366 % similar m-Coumaric acid588-30-766 % similar 3-Methylcinnamic acid14473-89-364 % similar m-Bromocinnamic acid14473-91-764 % similar 3-(3-Methylphenyl)-2-propenoic acid3029-79-664 % similar 3-(3-Bromophenyl)-2-propenoic acid32862-97-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-(4-Chlorophenyl)-1,2-propanedione10557-21-8 4-Chlorocinnamic acid1615-02-7 2-Chlorocinnamic acid3752-25-8 6-Chlorochroman-4-one37674-72-9 2,3-Dihydro-1-benzofuran-5-carbonyl chloride55745-71-6 4-Chloro-7-hydroxy-2,3-dihydroinden-1-one81945-10-0

Elsewhere

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