4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid
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4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid
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CAS No:
111468-95-2
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Formula:
C9H11NO3
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Chemical Name:
4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid
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Synonyms:
1H-Pyrrole-2-carboxylic acid,4-(1-oxobutyl)-;4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid
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CAS No:
Characteristics
70.2
1.1
1.251±0.06 g/cm3(Predicted)
191-192 °C @ Solvent: Ethanol, Water
416.0±30.0 °C(Predicted)
Computed Properties
Molecular Weight:181.19
XLogP3:1.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:181.07389321
Monoisotopic Mass:181.07389321
Topological Polar Surface Area:70.2
Heavy Atom Count:13
Complexity:215
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(1-Oxobutyl)-1H-pyrrole-2-carboxylic acid
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