butanedioic acid3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one

butanedioic acid;3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one

CAS: 70096-14-9

Molecular Formula	`C24H30N2O7`
Molecular Weight	458.5 g/mol
Topological Polar Surface Area	136.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	8
Rotatable Bonds	10
Exact Mass	458.2053
Heavy Atoms	33
Complexity	529.0

Chemical Identifiers

CAS Number	70096-14-9
SMILES	`CC(C)NCC(COC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)O.C(CC(=O)O)C(=O)O`
InChIKey	`YTFSIJBIBVOXOB-UHFFFAOYSA-N`

📖 Product Overview

butanedioic acid3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one (CAS: 70096-14-9) is a chemical compound with molecular formula C24H30N2O7 and molecular weight 458.5 g/mol. Its IUPAC systematic name is butanedioic acid;3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-phenyl-3H-isoindol-1-one. Topological Polar Surface Area 136.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 8 Rotatable Bonds 10 Exact Mass 458.2053 Heavy Atoms 33 Complexity 529.0 InChI Key: YTFSIJBIBVOXOB-UHFFFAOYSA-N. SMILES: CC(C)NCC(COC1C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)O.C(CC(=O)O)C(=O)O.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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