Indole-3-acetic acid

C10H9NO2CAS 87-51-4175.19 g/mol

Open in Covalent MOL file
OHONH
Carboxylic acid

Properties

Molecular formula
C10H9NO2
Molar mass
175.19 g/mol
Exact mass
175.0633 Da
Density
1.58 g/mL
Melting point
168.5 °C
Boiling point
164–165 °C
logP
1.79Crippen estimate
Polar surface area
53.1 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 56 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
87-51-4
SMILES
O=C(O)Cc1c[nH]c2ccccc12
InChIKey
SEOVTRFCIGRIMH-UHFFFAOYSA-N
InChI
InChI=1S/C10H9NO2/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9/h1-4,6,11H,5H2,(H,12,13)

Weigh it out

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

Names and synonyms

19 names · show all
  • 1H-Indole-3-acetic acid
  • 3-IAA
  • Heteroauxin
  • IAA
  • β-Indoleacetic acid
  • Rhizopin
  • Indoleacetic acid
  • 3-(Carboxymethyl)indole
  • β-IAA
  • α-IAA
  • GAP
  • 2-(3-Indolyl)acetic acid
  • 2-(1H-Indol-3-yl)acetic acid
  • 3-Indolylmethylcarboxylic acid
  • (1H-Indol-3-yl)acetic acid
  • NSC 3787
  • 3-(Carboxymethyl)-1H-indole
  • Noclosan
  • Bioenraiz

Work with Indole-3-acetic 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 Boiling point under vacuumAt any pressure, from its normal boiling point 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-Indolylacetic acid potassium salt2338-19-4Salt

Similar compounds

1H-Indole-3-propanoic acid830-96-674 % similar Indole-3-butyric acid133-32-470 % similar Indole-3-pyruvic acid392-12-166 % similar 5-Hydroxyindoleacetic acid1321-73-964 % similar 5-Hydroxyindoleacetic acid54-16-064 % similar 5-Methyl-3-indoleacetic acid1912-47-663 % similar (5-Bromo-1H-indol-3-yl)acetic acid40432-84-663 % similar 5-Fluoroindole-3-acetic acid443-73-263 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl indole-5-carboxylate1011-65-0 5-Methylindole-2-carboxylic acid10241-97-1 Methyl 4-cyano-2-methylbenzoate103261-67-2 5-Methoxyindole-3-carbaldehyde10601-19-1 Methyl 1H-indole-2-carboxylate1202-04-6 1-Methyl-1H-indole-2-carboxylic acid16136-58-6 2,3,4,5-Tetrahydro-1H-1-benzazepine-2,5-dione16511-38-9 4-Hydroxy-1-methyl-2(1H)-quinolinone1677-46-9

Elsewhere

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