chempirical

trans-3-Indoleacrylic acid

C11H9NO2CAS 29953-71-7187.20 g/mol

Open in Covalent MOL file
OOHNH
AlcoholCarboxylic Acid

Properties

Molecular formula
C11H9NO2
Molar mass
187.20 g/mol
Exact mass
187.0633 Da
Melting point
195–196 °C
logP
2.27Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Identifiers

CAS number
29953-71-7
SMILES
O=C(O)/C=C/c1c[nH]c2ccccc12
InChIKey
PLVPPLCLBIEYEA-AATRIKPKSA-N
InChI
InChI=1S/C11H9NO2/c13-11(14)6-5-8-7-12-10-4-2-1-3-9(8)10/h1-7,12H,(H,13,14)/b6-5+

Weigh it out

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

Names and synonyms

7 names
  • 2-Propenoic acid, 3-(1H-indol-3-yl)-, (2E)-
  • Indole-3-acrylic acid, (E)-
  • 2-Propenoic acid, 3-(1H-indol-3-yl)-, (E)-
  • (2E)-3-(1H-Indol-3-yl)-2-propenoic acid
  • trans-β-Indoleacrylic acid
  • (E)-3-(1H-Indol-3-yl)-2-propenoic acid
  • (E)-3-(1H-Indol-3-yl)prop-2-enoic acid

Work with trans-3-Indoleacrylic 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

Same formula

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-3 Indole-3-acrylic acid1204-06-4 Benzylmaleimide1631-26-1 N-(4-Methylphenyl)maleimide1631-28-3 1-Acetylindole-3-carboxaldehyde22948-94-3 8-Acetoxyquinoline2598-29-0 Methyl 3-isoquinolinecarboxylate27104-73-0 3-Hydroxy-2-naphthalenecarboxamide3665-51-8

Elsewhere

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