1H-Indole-3-carboxylic acid | CAS No. 771-50-6

1H-Indole-3-carboxylic acid

Basic Information

CAS Number

771-50-6

Molecular Formula

C9H7NO2

Molecular Weight

161.16 g/mol

AD

Basic Physical Properties

Physical State

Powder

Melting Point

232-234 °C (dec.)

Boiling Point

419.6°C at 760 mmHg

Density

1.2480 (rough estimate)

Flash Point

207.6℃

Solubility

Soluble in 95% Ethanol: 50 mg/ml, also soluble in methanol.

Refractive Index

1.5050 (estimate)

Vapor Pressure

0.0±1.0 mmHg at 25°C

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

LogP

1.8660999999999999

Topological Polar Surface Area

53.089999999999996 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

193

Safety Information

View Safety Information

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

  • 3-Indolylcarboxylic acid
  • Z89283908
  • 3-Indolecarboxylicacid
  • Indole - 3 Carboxylic acid
  • s4860
  • NS00015706
  • C19837
  • Tropisetron impurity B, European Pharmacopoeia (EP) Reference Standard
  • F2147-0150
  • 3-Indoleformic acid
  • A9767
  • InChI=1/C9H7NO2/c11-9(12)7-5-10-8-4-2-1-3-6(7)8/h1-5,10H,(H,11,12
  • Indole-3-carboxylic acid
  • 3-indolecarboxylic
  • Indole-3-carboxylic acid, Vetec(TM) reagent grade, 98%
  • Indole-3-carboxylicacid
  • AKOS001071938
  • indole-3-carboxylate
  • CS-D0682
  • Indole-3-carboxylic acid pound>>1H-Indole-3-carboxylic acid pound>>3-Carboxyindole
  • 3-Indoleformate
  • 3-Indolecarboxylate
  • Indole-beta-carboxylic acid
  • 3-Indolecarboxylic acid
  • .beta.-Indolylcarboxylic acid
  • BDBM93015
  • AMY2761
  • CHEBI:24809
  • 59711R38B0
  • I-2320
  • Q-102571

MDL Number

MFCD00005624

Customs Code

2942000000

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