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1001203-03-7

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1001203-03-7 Structure

1001203-03-7 Structure
IdentificationBack Directory
[Name]

3-Ethynyl-4-methyl-benzoic acid
[CAS]

1001203-03-7
[Synonyms]

Ponatinib Impurity 8
3-Ethynyl-4-methyl-benzoic acid
Benzoic acid, 3-ethynyl-4-methyl-
[Molecular Formula]

C10H8O2
[MDL Number]

MFCD20646092
[MOL File]

1001203-03-7.mol
[Molecular Weight]

160.17
Chemical PropertiesBack Directory
[Boiling point ]

323.5±35.0 °C(Predicted)
[density ]

1.19±0.1 g/cm3(Predicted)
[pka]

4.16±0.10(Predicted)
[InChI]

InChI=1S/C10H8O2/c1-3-8-6-9(10(11)12)5-4-7(8)2/h1,4-6H,2H3,(H,11,12)
[InChIKey]

FXLGXUBFIWFPJA-UHFFFAOYSA-N
[SMILES]

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

GHS hazard pictograms
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302+H312+H332-H315-H319-H335
[Precautionary statements ]

P271-P260-P280
[HS Code ]

2916399090
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