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Indole-3-carboxylic acid

CAS 771-50-6C9H7NO2MW 161.16

Indole-3-carboxylic acid (CAS 771-50-6) — formula C9H7NO2, molecular weight 161.16; category organic chemicals.

Product Overview

CAS Number771-50-6
Molecular FormulaC9H7NO2
Molecular Weight161.16
Melting Point206.5 °C
LogP1.99
CategoryOrganic Chemicals

Technical Profile

What this product is

Indole-3-carboxylic acid is a carbon-based organic compound with CAS registry number 771-50-6 and molecular formula C9H7NO2 (molecular weight 161.16), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 771-50-6

Its molecular formula C9H7NO2 comprises 9 C, 7 H, 1 N, 2 O atoms.

Also known as: Indole-3-carboxylic acid · 3-吲哚甲酸

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Indole-3-carboxylic acid?

The CAS registry number of Indole-3-carboxylic acid is 771-50-6.

What is the molecular formula and molecular weight of Indole-3-carboxylic acid?

Molecular formula C9H7NO2, molecular weight 161.16.

What other names is Indole-3-carboxylic acid known by?

It is also registered under: Indole-3-carboxylic acid, 3-吲哚甲酸.

Which category does Indole-3-carboxylic acid belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Indole-3-carboxylic acid (CAS 771-50-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number771-50-6
PubChem CID69867
Molecular formulaC9H7NO2
IUPAC name1H-indole-3-carboxylic acid
UNII (FDA)59711R38B0

Computed descriptors

Molecular Weight161.16
XLogP32
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass161.047678466
Monoisotopic Mass161.047678466
Topological Polar Surface Area53.1
Heavy Atom Count12

Physicochemical values on record

Melting Point206.5 °C
LogP1.99

Documented uses on record

  • 3-Indole carboxylic acid has known human metabolites that include 3-Indole carboxylic acid glucuronide.

Synonyms and trade names

Indole-3-carboxylic acid; 1H-Indole-3-carboxylic acid; 771-50-6; 3-Carboxyindole; CHEBI:24809; 59711R38B0; DTXSID50227886; RefChem:923413; DTXCID00150377; 212-231-6; 3-Indoleformic acid; 3-Indolecarboxylic acid; MFCD00005624; 3-Indolecarboxylate; 3-Indolylcarboxylic acid; 3-Indoleformate

GHS hazard classification

Reported hazard statementsH302 (40%), H312 (20%), H315 (90%), H319 (90%), H335 (80%)

H302 (40%): Harmful if swallowed [Warning Acute toxicity, oral]

H312 (20%): Harmful in contact with skin [Warning Acute toxicity, dermal]

What the public record says

Indole-3-carboxylic acid · CAS 771-50-6 · C9H7NO2. UNII 59711R38B0. Melting Point: 206.5 °C; LogP: 1.99.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.

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