Indole-3-acrylic acid

C11H9NO2CAS 1204-06-4187.20 g/mol

Open in Covalent MOL file
OOHNH
AlkeneCarboxylic 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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1204-06-4
SMILES
O=C(O)C=Cc1c[nH]c2ccccc12
InChIKey
PLVPPLCLBIEYEA-UHFFFAOYSA-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)

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Names and synonyms

11 names
  • 3-(1H-Indol-3-yl)acrylic acid
  • 2-Propenoic acid, 3-(1H-indol-3-yl)-
  • 3-(1H-Indol-3-yl)-2-propenoic acid
  • 3-Indolylacrylic acid
  • Indoleacrylic acid
  • 3-β-Indoleacrylic acid
  • 3-(3-Indolyl)acrylic acid
  • NSC 137806
  • NSC 29428
  • NSC 612862
  • 3-(Indol-3-yl)prop-2-enoic acid

Work with Indole-3-acrylic 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-Indoleacrylic acid29953-71-7Defined stereoisomer

Similar compounds

3-(1-Naphthalenyl)-2-propenoic acid13026-12-556 % similar Indole-3-carbaldehyde487-89-851 % similar 2-Formylcinnamic acid130036-17-851 % similar o-Coumaric acid583-17-551 % similar O-Coumaric acid614-60-851 % similar 2-Bromocinnamic acid7345-79-151 % similar 3-(2-Bromophenyl)-2-propenoic acid7499-56-151 % similar 2-Methylcinnamic acid2373-76-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(1H-Pyrrol-1-yl)benzoic acid10333-68-3 6-Amino-2-naphthoic acid116668-47-4 Benzylmaleimide1631-26-1 N-(4-Methylphenyl)maleimide1631-28-3 4-(1H-Pyrrol-1-yl)benzoic acid22106-33-8 1-Acetylindole-3-carboxaldehyde22948-94-3 8-Acetoxyquinoline2598-29-0 Methyl 3-isoquinolinecarboxylate27104-73-0

Elsewhere

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