4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID
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4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID
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CAS No:
15898-26-7
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Formula:
C13H13NO2
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Chemical Name:
4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID
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Synonyms:
1-(4-CARBOXYPHENYL)-2,5-DIMETHYLPYRROLE;AKOS BB-3565;4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZENECARBOXYLIC ACID;4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOIC ACID;4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID;BUTTPARK 19\07-90;RARECHEM AL BE 1036;4-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid,97%
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CAS No:
4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID Basic Attributes
215.25
215.09500
DTXSID80332598
2933990090
Characteristics
42.2
2.79230
1.14±0.1 g/cm3(Predicted)
181-184°C
383.8±30.0 °C(Predicted)
185.9ºC
1.579
Safety Information
IRRITANT
36/37/38
26-36/37/39
Harmful
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:215.25
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:215.094628657
Monoisotopic Mass:215.094628657
Topological Polar Surface Area:42.2
Heavy Atom Count:16
Complexity:249
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(2,5-DIMETHYL-PYRROL-1-YL)-BENZOIC ACID
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