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379250-83-6

379250-83-6 Structure

379250-83-6 Structure
IdentificationBack Directory
[Name]

4-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID
[CAS]

379250-83-6
[Synonyms]

TIMTEC-BB SBB011890
OTAVA-BB BB7212090686
4-[(3,5-DIMETHYLISOXAZOL-4-YL)METHOXY]BENZOIC ACID
Benzoic acid, 4-[(3,5-dimethyl-4-isoxazolyl)methoxy]-
[Molecular Formula]

C13H13NO4
[MDL Number]

MFCD02654899
[MOL File]

379250-83-6.mol
[Molecular Weight]

247.25
Chemical PropertiesBack Directory
[Boiling point ]

444.6±40.0 °C(Predicted)
[density ]

1.266±0.06 g/cm3(Predicted)
[form ]

solid
[pka]

4.37±0.10(Predicted)
[InChI]

1S/C13H13NO4/c1-8-12(9(2)18-14-8)7-17-11-5-3-10(4-6-11)13(15)16/h3-6H,7H2,1-2H3,(H,15,16)
[InChIKey]

FZZOXUGENAQGIJ-UHFFFAOYSA-N
[SMILES]

O=C(O)C(C=C1)=CC=C1OCC2=C(C)ON=C2C
Safety DataBack Directory
[Hazard Codes ]

Xi
[WGK Germany ]

WGK 3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
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