3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate

CAS: 90066-13-0

Molecular Formula	`C29H30N2O5`
Molecular Weight	486.6 g/mol
LogP	4.5
Topological Polar Surface Area	92.9 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	486.21548
Heavy Atoms	36
Complexity	930.0

Chemical Identifiers

CAS Number	90066-13-0
SMILES	`CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=O)[O-])C(=O)O`
InChIKey	`NZRQKXUQAXJACC-UHFFFAOYSA-N`

📖 Product Overview

3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate (CAS: 90066-13-0) is a chemical compound with molecular formula C29H30N2O5 and molecular weight 486.6 g/mol. Its IUPAC systematic name is 3-carboxy-4-[3-(diethylamino)-6-diethylazaniumylidenexanthen-9-yl]benzoate. LogP 4.5 Topological Polar Surface Area 92.9 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 486.21548 Heavy Atoms 36 Complexity 930.0 InChI Key: NZRQKXUQAXJACC-UHFFFAOYSA-N. SMILES: CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)C(=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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