| CAS Number | 101917-30-0 |
| Catalog Number | AG008TJM(AGN-PC-0OR2FF) |
| Chemical Name | sodium pent-4-ynoate |
| IUPAC Name | sodium;pent-4-ynoate |
| InChI | InChI=1S/C5H6O2.Na/c1-2-3-4-5(6)7;/h1H,3-4H2,(H,6,7);/q;+1/p-1 |
| InChI Key | IWIICCMJXWKGSG-UHFFFAOYSA-M |
| MDL Number | MFCD22417092 |
| Molecular Formula | C5H5NaO2 |
| Molecular Weight | 120.0818 |
| SMILES | [Na+].[O-]C(CCC#C)=O |
| Synonyms | sodium 4-pentynoate,
101917-30-0,
sodium pent-4-ynoate,
C5H5O2.Na,
SCHEMBL3503732,
DTXSID70735352,
4056AH,
AKOS030526202,
CS-0723,
HY-15286,
W-5924,
A3829,
A15242,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.083g/mol |
| Monoisotopic Mass | 120.019g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number