| CAS Number | 65994-70-9 |
| Catalog Number | AG01B1IK(AGN-PC-00NFZW) |
| Chemical Name | 2-(Prop-2-yn-1-yl)pent-4-ynoic acid |
| IUPAC Name | 2-prop-2-ynylpent-4-ynoic acid |
| InChI | InChI=1S/C8H8O2/c1-3-5-7(6-4-2)8(9)10/h1-2,7H,5-6H2,(H,9,10) |
| InChI Key | OPBSCMQIBMFTDY-UHFFFAOYSA-N |
| MDL Number | MFCD19228141 |
| Molecular Formula | C8H8O2 |
| Molecular Weight | 136.1479 |
| SMILES | C(C#C)C(C(=O)O)CC#C |
| Synonyms | 2-(prop-2-yn-1-yl)pent-4-ynoic acid,
65994-70-9,
Dipropargylacetic Acid,
dipropargyl acetic acid,
SCHEMBL379205,
OPBSCMQIBMFTDY-UHFFFAOYSA-N,
1,6-Heptadiyne-4-carboxylic acid,
2-(2-Propynyl)-4-pentynoic Acid,
ZINC34121789,
AKOS006380880,
NE34981,
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| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.15g/mol |
| Monoisotopic Mass | 136.052g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number