| CAS Number | 98021-61-5 |
| Catalog Number | AG01FFUY(AGN-PC-00OIYO) |
| Chemical Name | 2-(prop-2-yn-1-yloxy)acetic acid |
| IUPAC Name | 2-prop-2-ynoxyacetic acid |
| InChI | InChI=1S/C5H6O3/c1-2-3-8-4-5(6)7/h1H,3-4H2,(H,6,7) |
| InChI Key | DZQBMVUCILXGLV-UHFFFAOYSA-N |
| MDL Number | MFCD10694017 |
| Molecular Formula | C5H6O3 |
| Molecular Weight | 114.0993 |
| SMILES | C(C#C)OCC(=O)O |
| Synonyms | 2-(Prop-2-ynyloxy)acetic acid,
2-(prop-2-yn-1-yloxy)acetic acid,
98021-61-5,
MFCD10694017,
a-propargyloxyacetic acid,
2-(Propynyloxy)acetic acid,
SCHEMBL2505557,
AKOS005200678,
F8885-6186,
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| Complexity | 119 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.1g/mol |
| Monoisotopic Mass | 114.032g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
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Certificate of Analysis
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