Indole-3-carboxylic acid

For Research Use Only.
Category
Alkaloids
Cat.No.
NP0090
CAS
771-50-6
Product Name
Indole-3-carboxylic acid
Structure

Product Details

Description
1H-Indole-3-carboxylic acid can be found in the roots of Carpesium abrotanoides.
Synonyms
1H-indole-3-carboxylic acid
IUPAC Name
1H-indole-3-carboxylic acid
Molecular Weight
161.16
Molecular Formula
C9H7NO2
Canonical SMILES
C1=CC=C2C(=C1)C(=CN2)C(=O)O
InChI
InChI=1S/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12)
InChIKey
KMAKOBLIOCQGJP-UHFFFAOYSA-N
Boiling Point
419.6 °C at 760 mmHg
Melting Point
232-234°C (dec.)(lit.)
Purity
> 98 %
Density
1.408 g/cm3
Solubility
Soluble in 95% Ethanol: 50 mg/mL, also soluble in methanol.
Appearance
Powder
Storage
2-8°C
BRN
129435
Definition
ChEBI: Indole-3-carboxylic acid is an indole-3-carboxylic acid carrying a carboxy group at position 3. It has a role as a human metabolite and a bacterial metabolite. It is a conjugate acid of an indole-3-carboxylate.
EINECS
212-231-6
Form
Powder
Hazard Class
IRRITANT
Hazard Codes
Xn,Xi
HS Code
29339900
MDL
MFCD00005624
pKa
3.90±0.10(Predicted)
Refractive Index
1.5050 (estimate)
Risk Statements
36/37/38-21/22
RTECS
NK7882892
Safety Statements
22-24/25-36/37/39-26
WGK Germany
3
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