1-methyl-4-nitropyrrole-2-carboxylic acid
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1-methyl-4-nitropyrrole-2-carboxylic acid
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CAS No:
13138-78-8
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Formula:
C6H6N2O4
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Chemical Name:
1-methyl-4-nitropyrrole-2-carboxylic acid
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Synonyms:
4-nitro-1-methylpyrrole carboxylic acid; 1-Methyl-4-nitro-2-pyrrolecarboxylic acid; N-methyl-4-nitropyrrole-2-carboxylic acid; 1-methyl-3-nitropyrrole-5-carboxylic acid; 1-methyl-4-nitro-1H-pyrrole-2-carboxylic acid;
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CAS No:
1-methyl-4-nitropyrrole-2-carboxylic acid Basic Attributes
170.12300
170.03275668
DTXSID80371700
2933990090
Safety Information
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:170.12
XLogP3:0.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:170.03275668
Monoisotopic Mass:170.03275668
Topological Polar Surface Area:88
Heavy Atom Count:12
Complexity:212
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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