3-(1H-PYRROL-1-YL)BENZOICACID
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3-(1H-PYRROL-1-YL)BENZOICACID
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CAS No:
61471-45-2
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Formula:
C11H9NO2
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Chemical Name:
3-(1H-PYRROL-1-YL)BENZOICACID
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Synonyms:
BUTTPARK 98\12-66;CHEMBRDG-BB 4009176;3-(1H-PYRROL-1-YL)BENZOIC ACID;3-PYRROL-1-YL-BENZOIC ACID;TIMTEC-BB SBB010133;RARECHEM AL BO 0578;OTAVA-BB BB7020410215;3-(1H-Pyrrol-1-yl)benzoic acid 97%
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CAS No:
Safety Information
IRRITANT
36
26
Xi
|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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:187.19
XLogP3:2.6
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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