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4-Cyano-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
[CAS# 90345-47-4]

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Identification
Name 4-Cyano-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Molecular Structure CAS#: 90345-47-4, 4-Cyano-3,5-dimethyl-1H-pyrrole-2-carboxylic acid
Molecular Formula C8H8N2O2
Molecular Weight 164.16
CAS Registry Number 90345-47-4
SMILES O=C(O)c1c(c(C#N)c(n1)C)C
InChI 1S/C8H8N2O2/c1-4-6(3-9)5(2)10-7(4)8(11)12/h10H,1-2H3,(H,11,12)
InChIKey MXRLDGFCXONJMS-UHFFFAOYSA-N
Properties
Density 1.339g/cm3 (Cal.)
Boiling point 390.096°C at 760 mmHg (Cal.)
Flash point 189.724°C (Cal.)
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