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131613-54-2

131613-54-2 Structure

131613-54-2 Structure
IdentificationBack Directory
[Name]

2-(1-CARBOXY-3-METHYL-BUTYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
[CAS]

131613-54-2
[Synonyms]

OTAVA-BB BB7015511020
2-(1-Carboxy-3-methylbutyl)-1,3-dioxo-5-isoindolinecarboxylic acid
2-(1-CARBOXY-3-METHYL-BUTYL)-1,3-DIOXO-2,3-DIHYDRO-1H-ISOINDOLE-5-CARBOXYLIC ACID
[Molecular Formula]

C15H15NO6
[MDL Number]

MFCD02319304
[MOL File]

131613-54-2.mol
[Molecular Weight]

305.28
Chemical PropertiesBack Directory
[form ]

solid
[InChI]

1S/C15H15NO6/c1-7(2)5-11(15(21)22)16-12(17)9-4-3-8(14(19)20)6-10(9)13(16)18/h3-4,6-7,11H,5H2,1-2H3,(H,19,20)(H,21,22)
[InChIKey]

MLBQKULJXDHKHT-UHFFFAOYSA-N
[SMILES]

N1(C(=O)c2c(ccc(c2)C(=O)O)C1=O)C(CC(C)C)C(=O)O
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25
[Safety Statements ]

45
[WGK Germany ]

WGK 3
[Storage Class]

6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects
[Hazard Classifications]

Acute Tox. 3 Oral
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