4-(1H-Pyrrol-1-yl)benzoic acid
Properties
- Molecular formula
- C11H9NO2
- Molar mass
- 187.20 g/mol
- Exact mass
- 187.0633 Da
- 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 44 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
22106-33-8SMILES
C1=CN(C=C1)C2=CC=C(C=C2)C(=O)OInChIKey
NLSIIPKSANRIGS-UHFFFAOYSA-NInChI
InChI=1S/C11H9NO2/c13-11(14)9-3-5-10(6-4-9)12-7-1-2-8-12/h1-8H,(H,13,14)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 4-(1H-Pyrrol-1-yl)benzoic acid
Similar compounds
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Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds