5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid
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5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid
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CAS No:
85057-78-9
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Formula:
C10H13NO4
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Chemical Name:
5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid
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Synonyms:
5-(ethoxycarbonyl)-3,4-dimethyl-1h-pyrrole-2-carboxylic acid; 3,4-dimethyl-pyrrole-2,5-dicarboxylic acid monoethyl ester; 3,4-Dimethyl-pyrrol-2,5-dicarbonsaeure-monoaethylester; 5-ethoxycarbonyl-3,4-dimethylpyrrole-2-carboxylic acid;
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CAS No:
5-ethoxycarbonyl-3,4-dimethyl-1H-pyrrole-2-carboxylic acid Basic Attributes
211.21500
211.08445790 g/mol
121395
DTXSID70298199
2933990090
Safety Information
|Warning|H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]|P264, P280, P305+P351+P338, and P337+P313|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:211.21
XLogP3:1.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:211.08445790
Monoisotopic Mass:211.08445790
Topological Polar Surface Area:79.4
Heavy Atom Count:15
Complexity:266
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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