Phenolphthalexon

2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid

CAS: 25296-54-2

Molecular Formula	`C30H28N2O12`
Molecular Weight	608.5 g/mol
LogP	-2.7
Topological Polar Surface Area	222.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	14
Rotatable Bonds	14
Exact Mass	608.16425
Heavy Atoms	44
Complexity	990.0

Chemical Identifiers

CAS Number	25296-54-2
SMILES	`C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)CN(CC(=O)O)CC(=O)O)C4=CC(=C(C=C4)O)CN(CC(=O)O)CC(=O)O`
InChIKey	`QHKMTHBQSIKVAC-UHFFFAOYSA-N`

📖 Product Overview

Phenolphthalexon (CAS: 25296-54-2) is a chemical compound with molecular formula C30H28N2O12 and molecular weight 608.5 g/mol. Its IUPAC systematic name is 2-[[5-[1-[3-[[bis(carboxymethyl)amino]methyl]-4-hydroxyphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid. LogP -2.7 Topological Polar Surface Area 222.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 14 Rotatable Bonds 14 Exact Mass 608.16425 Heavy Atoms 44 Complexity 990.0 InChI Key: QHKMTHBQSIKVAC-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC(=C(C=C3)O)CN(CC(=O)O)CC(=O)O)C4=CC(=C(C=C4)O)CN(CC(=O)O)CC(=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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