ChemicalBook--->CAS DataBase List--->876715-82-1

876715-82-1

876715-82-1 Structure

876715-82-1 Structure
IdentificationBack 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 PropertiesBack 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 DataBack Directory
[Hazard Codes ]

Xi,Xn
[Risk Statements ]

22
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[Storage Class]

11 - Combustible Solids
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