2-(1H-Pyrrol-1-yl)benzoic acid

C₁₁H₉NO₂CAS 10333-68-3187.20 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid

Properties

Molecular formula: C₁₁H₉NO₂
Molar mass: 187.20 g/mol
Exact mass: 187.0633 Da
Melting point: 103 °C
logP: 2.18Crippen estimate
Polar surface area: 42.2 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Identifiers

CAS number

10333-68-3

SMILES

O=C(O)c1ccccc1-n1cccc1

InChIKey

GNWTWXOZRSBCOZ-UHFFFAOYSA-N

InChI

InChI=1S/C11H9NO2/c13-11(14)9-5-1-2-6-10(9)12-7-3-4-8-12/h1-8H,(H,13,14)

Weigh it out

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

Names and synonyms

4 names

Benzoic acid, 2-(1H-pyrrol-1-yl)-
Benzoic acid, o-pyrrol-1-yl-
2-(1-Pyrrolyl)benzoic acid
1-(2-Carboxyphenyl)pyrrole

Work with 2-(1H-Pyrrol-1-yl)benzoic 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

Same formula

Indole-3-acrylic acid1204-06-4 Benzylmaleimide1631-26-1 N-(4-Methylphenyl)maleimide1631-28-3 1-Acetylindole-3-carboxaldehyde22948-94-3 8-Acetoxyquinoline2598-29-0 Methyl 3-isoquinolinecarboxylate27104-73-0 trans-3-Indoleacrylic acid29953-71-7 3-Hydroxy-2-naphthalenecarboxamide3665-51-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook