| CAS Number | 98166-29-1 |
| Catalog Number | AG01B6CE(AGN-PC-00MNYX) |
| Chemical Name | 3-(2,2-Diethoxyethoxy)prop-1-yne |
| IUPAC Name | 3-(2,2-diethoxyethoxy)prop-1-yne |
| InChI | InChI=1S/C9H16O3/c1-4-7-10-8-9(11-5-2)12-6-3/h1,9H,5-8H2,2-3H3 |
| InChI Key | KLXXQIJFXGGJDF-UHFFFAOYSA-N |
| MDL Number | MFCD27935195 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | C#CCOCC(OCC)OCC |
| Synonyms | 3-(2,2-diethoxyethoxy)prop-1-yne,
98166-29-1,
1-Propyne, 3-(2,2-diethoxyethoxy)-,
SCHEMBL4024907,
ZINC167769664,
2-(Propargyloxy)acetaldehyde diethyl acetal,
|
| Complexity | 130 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.224g/mol |
| Monoisotopic Mass | 172.11g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 27.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
Lot Number