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134378-94-2

134378-94-2 Structure

134378-94-2 Structure
IdentificationBack Directory
[Name]

5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester
[CAS]

134378-94-2
[Synonyms]

methyl 3-(p-tolyl)isoxazole-5-carboxylate
methyl 3-(4-methylphenyl)isoxazole-5-carboxylate
5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester
[Molecular Formula]

C12H11NO3
[MDL Number]

MFCD02737757
[MOL File]

134378-94-2.mol
[Molecular Weight]

217.22
Chemical PropertiesBack Directory
[Boiling point ]

378.1±30.0 °C(Predicted)
[density ]

1.174±0.06 g/cm3(Predicted)
[storage temp. ]

Store at room temperature
[form ]

solid
[pka]

-4.43±0.50(Predicted)
[Appearance]

Off-white to light yellow Solid
[InChI]

1S/C12H11NO3/c1-8-3-5-9(6-4-8)10-7-11(16-13-10)12(14)15-2/h3-7H,1-2H3
[InChIKey]

DQKLNXNTMSKHBC-UHFFFAOYSA-N
[SMILES]

CC1=CC=C(C=C1)C2=NOC(C(OC)=O)=C2
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Eye Irrit. 2
Skin Sens. 1
Spectrum DetailBack Directory
[Spectrum Detail]

5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, methyl ester(134378-94-2)1HNMR
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