4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
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4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
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CAS No:
50296-60-1
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Formula:
C9H11NO4
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Chemical Name:
4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
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Synonyms:
HMS1766M15; 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 4-methyl ester; 3,5-dimethyl-pyrrole-2,4-dicarboxylic acid-4-methyl ester; 3,5-Dimethyl-pyrrol-2,4-dicarbonsaeure-4-methylester;
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CAS No:
4-methoxycarbonyl-3,5-dimethyl-1H-pyrrole-2-carboxylic acid Basic Attributes
197.18800
197.06880783 g/mol
DTXSID40198298
2933990090
Safety Information
|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:197.19
XLogP3:1.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:197.06880783
Monoisotopic Mass:197.06880783
Topological Polar Surface Area:79.4
Heavy Atom Count:14
Complexity:253
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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