Compound C25H31NO9

2-hydroxy-2-oxoacetate;2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium

CAS: 40680-72-6

Molecular Formula	`C25H31NO9`
Molecular Weight	489.5 g/mol
Topological Polar Surface Area	143.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	9
Rotatable Bonds	10
Exact Mass	489.1999
Heavy Atoms	35
Complexity	548.0

Chemical Identifiers

CAS Number	40680-72-6
SMILES	`C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3)O)OC)OC.C(=O)(C(=O)[O-])O`
InChIKey	`SAJDXJADXKOKPC-UHFFFAOYSA-N`

📖 Product Overview

Compound C25H31NO9 (CAS: 40680-72-6) is a chemical compound with molecular formula C25H31NO9 and molecular weight 489.5 g/mol. Its IUPAC systematic name is 2-hydroxy-2-oxoacetate;2-[[5-(1-hydroxy-3-phenylpropyl)-4,7-dimethoxy-1-benzofuran-6-yl]oxy]ethyl-dimethylazanium. Topological Polar Surface Area 143.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 9 Rotatable Bonds 10 Exact Mass 489.1999 Heavy Atoms 35 Complexity 548.0 InChI Key: SAJDXJADXKOKPC-UHFFFAOYSA-N. SMILES: C[NH+](C)CCOC1=C(C2=C(C=CO2)C(=C1C(CCC3=CC=CC=C3)O)OC)OC.C(=O)(C(=O)[O-])O.

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