| CAS Number | 917756-42-4 |
| Catalog Number | AG01BDX5(AGN-PC-0CYUC4) |
| Chemical Name | 2-(Cyclooct-2-Yn-1-Yloxy)Acetic Acid |
| IUPAC Name | 2-cyclooct-2-yn-1-yloxyacetic acid |
| InChI | InChI=1S/C10H14O3/c11-10(12)8-13-9-6-4-2-1-3-5-7-9/h9H,1-4,6,8H2,(H,11,12) |
| InChI Key | QUIAKSQMOGTDQJ-UHFFFAOYSA-N |
| MDL Number | MFCD20661083 |
| Molecular Formula | C10H14O3 |
| Molecular Weight | 182.2164 |
| SMILES | C1CCC#CC(CC1)OCC(=O)O |
| Synonyms | 2-(Cyclooct-2-yn-1-yloxy)acetic acid,
917756-42-4,
SCHEMBL2618031,
AKOS026744997,
[(2-Cyclooctyne-1-yl)oxy]acetic acid,
NE51746,
cyclooct-1-yn-3-glycolic acid,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.219g/mol |
| Monoisotopic Mass | 182.094g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number