3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
Properties
- Molecular formula
- C9H11NO3
- Molar mass
- 181.19 g/mol
- Exact mass
- 181.0739 Da
- Melting point
- 204 °C
- logP
- 1.53Crippen estimate
- Polar surface area
- 70.2 Ų
- H-bond donors / acceptors
- 2 / 2
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
2386-33-6SMILES
CC(=O)c1c(C(=O)O)[nH]c(C)c1CInChIKey
PPSGKMWFWAXDHT-UHFFFAOYSA-NInChI
InChI=1S/C9H11NO3/c1-4-5(2)10-8(9(12)13)7(4)6(3)11/h10H,1-3H3,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
2 names
- 1H-Pyrrole-2-carboxylic acid, 3-acetyl-4,5-dimethyl-
- Pyrrole-2-carboxylic acid, 3-acetyl-4,5-dimethyl-
Work with 3-Acetyl-4,5-dimethyl-1H-pyrrole-2-carboxylic acid
Similar compounds
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5-Formyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid253870-02-943 % similar
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3,4-Dimethyl-1H-pyrazole-5-carboxylic acid89831-40-340 % similar
1-(2,4-Dimethyl-1H-pyrrol-3-yl)ethanone2386-25-638 % similar
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3,5-Dimethyl-1H-pyrazole-4-carboxylic acid113808-86-937 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.