2-(1H-Pyrrol-1-yl)benzoic 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 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 2
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 8 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
10333-68-3SMILES
O=C(O)c1ccccc1-n1cccc1InChIKey
GNWTWXOZRSBCOZ-UHFFFAOYSA-NInChI
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
Similar compounds
2-(1H-Imidazol-1-yl)benzoic acid159589-67-066 % similar
Phthalic acid88-99-359 % similar
2-(1H-Pyrazol-1-yl)benzoic acid55317-53-858 % similar
Diphenic acid482-05-353 % similar
Ammonium phthalate523-24-053 % similar
Salicylic acid69-72-750 % similar
2-Bromobenzoic acid88-65-350 % similar
Monoperoxyphthalic acid2311-91-349 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.