5-HEPTYN-2-ONE, 7-(1-PYRROLIDINYL)-, OXALATE (1:1)

2-hydroxy-2-oxoacetate;7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one

CAS: 3921-90-2

Molecular Formula	`C13H19NO5`
Molecular Weight	269.29 g/mol
Topological Polar Surface Area	98.9 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	3
Exact Mass	269.1263
Heavy Atoms	19
Complexity	305.0

Chemical Identifiers

CAS Number	3921-90-2
SMILES	`CC(=O)CCC#CC[NH+]1CCCC1.C(=O)(C(=O)[O-])O`
InChIKey	`OBVQUXRHVYQWMZ-UHFFFAOYSA-N`

📖 Product Overview

5-HEPTYN-2-ONE, 7-(1-PYRROLIDINYL)-, OXALATE (1:1) (CAS: 3921-90-2) is a chemical compound with molecular formula C13H19NO5 and molecular weight 269.29 g/mol. Its IUPAC systematic name is 2-hydroxy-2-oxoacetate;7-pyrrolidin-1-ium-1-ylhept-5-yn-2-one. Topological Polar Surface Area 98.9 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 3 Exact Mass 269.1263 Heavy Atoms 19 Complexity 305.0 InChI Key: OBVQUXRHVYQWMZ-UHFFFAOYSA-N. SMILES: CC(=O)CCC#CC[NH+]1CCCC1.C(=O)(C(=O)[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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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