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Methyl 4-hydroxybut-2-ynoate
| Catalog Number | ACM31555052-1 |
| CAS | 31555-05-2 |
| Structure |  |
| IUPAC Name | methyl 4-hydroxybut-2-ynoate |
| Synonyms | methyl 4-hydroxybut-2-ynoate;31555-05-2;METHYL-4-HYDROXY-2-BUTYNOATE;methyl 4-hydroxy-2-butynoate;Tetrolic acid, hydroxy-, methyl ester;4-Hydroxy-2-butynoic acid methyl ester;NSC292683;2-Butynoic acid, 4-hydroxy-, methyl ester;methyl 4-hydroxy-2-butinoate;SCHEMBL3277502;methyl gamma-hydroxy-2-butynoate;DTXSID00315166;ZINC1566051;3414AB;MFCD00029655;AKOS016009316;NSC-292683;4-hydroxy-but-2-ynoic acid methyl ester;AB0086266;FT-0657544 |
| Molecular Weight | 114.10g/mol |
| Molecular Formula | C5H6O3 |
| Canonical SMILES | COC(=O)C#CCO |
| InChI | InChI=1S/C5H6O3/c1-8-5(7)3-2-4-6/h6H,4H2,1H3 |
| InChI Key | SYPLUFBJMSFMTN-UHFFFAOYSA-N |
| Complexity | 136 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 114.031694049g/mol |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Monoisotopic Mass | 114.031694049g/mol |
| NSC Number | 292683 |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5Ų |
| X Log P3 | -0.1 |
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