876715-82-1

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876715-82-1 Structure

Identification	Back Directory
[Name] 3,5,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLIC ACID
[CAS] 876715-82-1
[Synonyms] CHEMBRDG-BB 4004394 TIMTEC-BB SBB011047 ASINEX-REAG BAS 10145053 3,5,7-TRIMETHYL-1H-INDOLE-2-CARBOXYLIC ACID 1H-Indole-2-carboxylic acid, 3,5,7-trimethyl- 3,5,7-trimethyl-1H-indole-2-carboxylic acid(SALTDATA: FREE)
[Molecular Formula] C12H13NO2
[MDL Number] MFCD07186365
[MOL File] 876715-82-1.mol
[Molecular Weight] 203.24

Chemical Properties	Back Directory
[Boiling point ] 416.0±40.0 °C(Predicted)
[density ] 1.245±0.06 g/cm3(Predicted)
[form ] solid
[pka] 4.29±0.30(Predicted)
[InChI] 1S/C12H13NO2/c1-6-4-7(2)10-9(5-6)8(3)11(13-10)12(14)15/h4-5,13H,1-3H3,(H,14,15)
[InChIKey] XFNONUNNILCXRU-UHFFFAOYSA-N
[SMILES] O=C(O)C1=C(C)C2=CC(C)=CC(C)=C2N1

Safety Data	Back Directory
[Hazard Codes ] Xi,Xn
[Risk Statements ] 22
[WGK Germany ] 3
[HazardClass ] IRRITANT
[Storage Class] 11 - Combustible Solids

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