A1BXY

prop-2-ynoic acid

Created:	2025-02-21
Last modified:	2025-04-02

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4 entries where A1BXY is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	7
Chiral Atom Count	0
Bond Count	6
Aromatic Bond Count	0

2D diagram of A1BXY

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Chemical Component Summary
Name	prop-2-ynoic acid
Systematic Name (OpenEye OEToolkits)	prop-2-ynoic acid
Formula	C₃ H₂ O₂
Molecular Weight	70.047
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	C#CC(=O)O
SMILES	CACTVS	3.385	OC(=O)C#C
SMILES	OpenEye OEToolkits	3.1.0.0	C#CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C#C
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C#CC(=O)O
InChI	InChI	1.06	InChI=1S/C3H2O2/c1-2-3(4)5/h1H,(H,4,5)
InChIKey	InChI	1.06	UORVCLMRJXCDCP-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.