| CAS Number | 1356458-63-3 |
| Catalog Number | AG01FLEE(AGN-PC-3H4B46) |
| Chemical Name | 5-ethynylfuran-2-carboxylic acid |
| IUPAC Name | 5-ethynylfuran-2-carboxylic acid |
| InChI | InChI=1S/C7H4O3/c1-2-5-3-4-6(10-5)7(8)9/h1,3-4H,(H,8,9) |
| InChI Key | RHOUKXDXNLOVNW-UHFFFAOYSA-N |
| MDL Number | MFCD22371544 |
| Molecular Formula | C7H4O3 |
| Molecular Weight | 136.1049 |
| SMILES | O=C(C1=CC=C(C#C)O1)O |
| Synonyms | 5-Ethynylfuran-2-carboxylic acid,
1356458-63-3,
SCHEMBL14634145,
ZINC85385863,
AKOS027453476,
5-Ethynyl-furan-2-carboxylic acid,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.106g/mol |
| Monoisotopic Mass | 136.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number