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36929-61-0

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36929-61-0 Structure

36929-61-0 Structure
IdentificationBack Directory
[Name]

1H-PYRROLE-3-CARBOXYLIC ACID, 1-METHYL-
[CAS]

36929-61-0
[Synonyms]

1-Methyl-3-pyrrolecarboxylic acid
1-Methylpyrrole-3-carboxylic Acid
1-methyl-1H-pyrrole-3-carboxylic acid
1H-PYRROLE-3-CARBOXYLIC ACID, 1-METHYL-
[Molecular Formula]

C6H7NO2
[MDL Number]

MFCD11111733
[MOL File]

36929-61-0.mol
[Molecular Weight]

125.13
Chemical PropertiesBack Directory
[Boiling point ]

276.6±13.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[pka]

5.07±0.10(Predicted)
[InChI]

InChI=1S/C6H7NO2/c1-7-3-2-5(4-7)6(8)9/h2-4H,1H3,(H,8,9)
[InChIKey]

OONDRKVHFCQDCG-UHFFFAOYSA-N
[SMILES]

N1(C)C=CC(C(O)=O)=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[HS Code ]

2933998090
Hazard InformationBack Directory
[Uses]

1-Methyl-1H-pyrrole-3-carboxylic Acid is used in preparation of MCL-1 inhibitors useful for treatment of cancer.
Spectrum DetailBack Directory
[Spectrum Detail]

1H-PYRROLE-3-CARBOXYLIC ACID, 1-METHYL-(36929-61-0)1HNMR
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