| CAS Number | 67500-49-6 |
| Catalog Number | AG01AL09(AGN-PC-0NC3A0) |
| Chemical Name | Methyl 2-(prop-2-yn-1-yloxy)acetate |
| IUPAC Name | methyl 2-prop-2-ynoxyacetate |
| InChI | InChI=1S/C6H8O3/c1-3-4-9-5-6(7)8-2/h1H,4-5H2,2H3 |
| InChI Key | AIQJXQPQNMKDGJ-UHFFFAOYSA-N |
| MDL Number | MFCD10693426 |
| Molecular Formula | C6H8O3 |
| Molecular Weight | 128.1259 |
| SMILES | C(C#C)OCC(=O)OC |
| Synonyms | methyl 2-(prop-2-yn-1-yloxy)acetate,
67500-49-6,
methyl (2-propynyloxy)acetate,
SCHEMBL17694763,
AIQJXQPQNMKDGJ-UHFFFAOYSA-N,
methyl 2-(prop-2-ynyloxy)acetate,
ZINC34958354,
AKOS005200684,
Z2218586280,
Methyl 2-prop-2-ynoxyacetate,
CID10877131,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 128.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 128.127g/mol |
| Monoisotopic Mass | 128.047g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number