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33282-17-6

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33282-17-6 Structure

33282-17-6 Structure
IdentificationBack Directory
[Name]

5-(3,4-DIMETHOXY-PHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID
[CAS]

33282-17-6
[Synonyms]

AKOS B022854
AKOS PAO-1626
OTAVA-BB 1055304
VITAS-BB TBB001559
ART-CHEM-BB B022854
TIMTEC-BB SBB007151
5-(3,4-DIMETHOXYPHENYL)-3-ISOXAZOLECARBOXYLIC ACID
5-(3,4-DIMETHOXY-PHENYL)-ISOXAZOLE-3-CARBOXYLIC ACID
3-isoxazolecarboxylic acid, 5-(3,4-dimethoxyphenyl)-
5-(3,4-DIMETHOXYPHENYL)-1,2-OXAZOLE-3-CARBOXYLIC ACID
[Molecular Formula]

C12H11NO5
[MDL Number]

MFCD05667173
[MOL File]

33282-17-6.mol
[Molecular Weight]

249.22
Chemical PropertiesBack Directory
[Boiling point ]

461.6±45.0 °C(Predicted)
[density ]

1.302±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

3.30±0.10(Predicted)
[InChI]

1S/C12H11NO5/c1-16-9-4-3-7(5-11(9)17-2)10-6-8(12(14)15)13-18-10/h3-6H,1-2H3,(H,14,15)
[InChIKey]

XIPXHDKCCWLQEV-UHFFFAOYSA-N
[SMILES]

COc1ccc(cc1OC)-c2cc(no2)C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
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