Compound C13H16N2O6S

[3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulfate

CAS: 2208-40-4

Molecular Formula	`C13H16N2O6S`
Molecular Weight	328.34 g/mol
LogP	0.6
Topological Polar Surface Area	126.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	328.0729
Heavy Atoms	22
Complexity	491.0

Chemical Identifiers

CAS Number	2208-40-4
SMILES	`CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)OS(=O)(=O)O`
InChIKey	`QQEILXDLZRLTME-UHFFFAOYSA-N`

📖 Product Overview

Compound C13H16N2O6S (CAS: 2208-40-4) is a chemical compound with molecular formula C13H16N2O6S and molecular weight 328.34 g/mol. Its IUPAC systematic name is [3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulfate. LogP 0.6 Topological Polar Surface Area 126.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 328.0729 Heavy Atoms 22 Complexity 491.0 InChI Key: QQEILXDLZRLTME-UHFFFAOYSA-N. SMILES: CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)OS(=O)(=O)O.

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