[3-(hydroxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanol

CAS: 17311-31-8

Molecular Formula	`C10H10N2O4`
Molecular Weight	222.2 g/mol
LogP	-0.7
Topological Polar Surface Area	86.8 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	222.06406
Heavy Atoms	16
Complexity	299.0

Chemical Identifiers

CAS Number	17311-31-8
SMILES	`C1=CC=C2C(=C1)N(C(=C([N+]2=O)CO)CO)[O-]`
InChIKey	`DOIGHQCAQBRSKI-UHFFFAOYSA-N`

📖 Product Overview

[3-(hydroxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanol (CAS: 17311-31-8) is a chemical compound with molecular formula C10H10N2O4 and molecular weight 222.2 g/mol. Its IUPAC systematic name is [3-(hydroxymethyl)-1-oxido-4-oxoquinoxalin-4-ium-2-yl]methanol. LogP -0.7 Topological Polar Surface Area 86.8 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 222.06406 Heavy Atoms 16 Complexity 299.0 InChI Key: DOIGHQCAQBRSKI-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)N(C(=C([N+]2=O)CO)CO)[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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