3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
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3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
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CAS No:
26180-28-9
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Formula:
C13H13NO2
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Chemical Name:
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
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Synonyms:
Benzoic acid,3-(2,5-dimethyl-1H-pyrrol-1-yl)-;Benzoic acid,m-(2,5-dimethylpyrrol-1-yl)-;3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid;3-(2,5-Dimethylpyrrol-1-yl)benzoic acid;C 128773;Chembridge 5128773
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CAS No:
3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid Basic Attributes
215.25
215.25
DTXSID50180806
2933990090
Characteristics
42.2
3.68
1.1±0.1 g/cm3
146 °C
401.9±33.0 °C at 760 mmHg
196.9±25.4 °C
1.579
3.51E-07mmHg at 25°C
Safety Information
IRRITANT
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
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:257
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-(2,5-Dimethyl-1H-pyrrol-1-yl)benzoic acid
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