5-ACETYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
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5-ACETYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
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CAS No:
17106-15-9
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Formula:
C9H11NO3
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Chemical Name:
5-ACETYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
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Synonyms:
5-ACETYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID;CHEMBRDG-BB 4011763;CBI-BB ZERO/004896;Albb-006685;5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid(SALTDATA: FREE);5-ethanoyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid
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CAS No:
5-ACETYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID Basic Attributes
181.19
181.07400
DTXSID00353447
2933990090
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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5-ACETYL-2,4-DIMETHYL-1H-PYRROLE-3-CARBOXYLIC ACID
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