2-(1H-Pyrrol-1-yl)benzoic acid
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2-(1H-Pyrrol-1-yl)benzoic acid
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CAS No:
10333-68-3
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Formula:
C11H9NO2
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Chemical Name:
2-(1H-Pyrrol-1-yl)benzoic acid
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Synonyms:
Benzoic acid,2-(1H-pyrrol-1-yl)-;Benzoic acid,o-pyrrol-1-yl-;2-(1H-Pyrrol-1-yl)benzoic acid;2-(1-Pyrrolyl)benzoic acid;1-(2-Carboxyphenyl)pyrrole
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CAS No:
Characteristics
42.2
2.17550
1.18±0.1 g/cm3(Predicted)
103 °C @ Solvent: Cyclohexane
360.0±25.0 °C(Predicted)
171.5ºC
1.596
Safety Information
36/37/38
26-36
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 7 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:187.19
XLogP3:1.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:187.063328530
Monoisotopic Mass:187.063328530
Topological Polar Surface Area:42.2
Heavy Atom Count:14
Complexity:211
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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