A1BXY
prop-2-ynoic acid
| Created: | 2025-02-21 |
| Last modified: | 2025-04-02 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 7 |
| Chiral Atom Count | 0 |
| Bond Count | 6 |
| Aromatic Bond Count | 0 |
Chemical Component Summary | |
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| 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 |
Related Resource References
| Resource Name | Reference |
|---|---|
| PubChem | 10110 |
| ChEMBL | CHEMBL1213530 |
| ChEBI | CHEBI:33199 |
| CCDC/CSD | UNUNID, AJAGEX |
