3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
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3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
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CAS No:
2386-33-6
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Formula:
C9H11NO3
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Chemical Name:
3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
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Synonyms:
1H-Pyrrole-2-carboxylic acid,3-acetyl-4,5-dimethyl-;Pyrrole-2-carboxylic acid,3-acetyl-4,5-dimethyl-;3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
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CAS No:
3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid Basic Attributes
181.19
181.19
DTXSID80343583
2933990090
Characteristics
70.16000
1.53230
1.255g/cm3
204 °C
396.7ºC at 760 mmHg
193.7ºC
1.568
5.26E-07mmHg at 25°C
Computed Properties
Molecular Weight:181.19
XLogP3:1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:181.07389321
Monoisotopic Mass:181.07389321
Topological Polar Surface Area:70.2
Heavy Atom Count:13
Complexity:239
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
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