| Catalog Number | ACM872791032 |
| CAS | 872791-03-2 |
| IUPAC Name | 2-but-3-ynylpropanedioic acid |
| Synonyms | 2-(But-3-yn-1-yl)malonic acid;872791-03-2 |
| Molecular Weight | 156.14g/mol |
| Molecular Formula | C7H8O4 |
| Canonical SMILES | C#CCCC(C(=O)O)C(=O)O |
| InChI | InChI=1S/C7H8O4/c1-2-3-4-5(6(8)9)7(10)11/h1,5H,3-4H2,(H,8,9)(H,10,11) |
| InChI Key | UZQOKRDVZJETRF-UHFFFAOYSA-N |
| Complexity | 196 |
| Covalently-Bonded Unit Count | 1 |
| Exact Mass | 156.04225873g/mol |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Monoisotopic Mass | 156.04225873g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 74.6Ų |
| X Log P3 | 0.5 |