4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
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4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
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CAS No:
26176-19-2
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Formula:
C11H11NO2S
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Chemical Name:
4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylic acid
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Synonyms:
4,5-dimethyl-2-pyrrolylthiophene-3-carboxylic acid; 4,5-Dimethyl-2-pyrrol-1-yl-thiophene-3-carboxylic acid; N-<3'-Carboxy-4',5'-dimethyl-2'-thienyl>-pyrrol;
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CAS No:
4,5-dimethyl-2-pyrrol-1-ylthiophene-3-carboxylic acid Basic Attributes
221.27600
221.05104977 g/mol
DTXSID80358490
2934999090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:221.28
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:221.05104977
Monoisotopic Mass:221.05104977
Topological Polar Surface Area:70.5
Heavy Atom Count:15
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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