| CAS Number | 5935-29-5 |
| Catalog Number | AG01BNCW(AGN-PC-0NFM7Z) |
| Chemical Name | 3-(prop-2-yn-1-yloxy)propan-1-ol |
| EC Number | 611-823-5 |
| IUPAC Name | 3-prop-2-ynoxypropan-1-ol |
| InChI | InChI=1S/C6H10O2/c1-2-5-8-6-3-4-7/h1,7H,3-6H2 |
| InChI Key | VSVSRNTZDSTNLP-UHFFFAOYSA-N |
| MDL Number | MFCD31380795 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | OCCCOCC#C |
| Synonyms | 5935-29-5,
3-(PROP-2-YN-1-YLOXY)PROPAN-1-OL,
3-hydroxypropyl propargyl ether,
SCHEMBL1142610,
3-(2-propynyloxy)propan-1-ol,
3-prop-2-ynoxypropan-1-ol,
CID11083864,
|
| Complexity | 79.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 114.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.144g/mol |
| Monoisotopic Mass | 114.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number