| CAS Number | 42217-00-5 |
| Catalog Number | AG00D70L(AGN-PC-0WOMWA) |
| Chemical Name | 1-Propyne, 3,3,3-triethoxy- |
| IUPAC Name | 3,3,3-triethoxyprop-1-yne |
| InChI | InChI=1S/C9H16O3/c1-5-9(10-6-2,11-7-3)12-8-4/h1H,6-8H2,2-4H3 |
| InChI Key | MXIIFPFEQROLEO-UHFFFAOYSA-N |
| MDL Number | MFCD27950660 |
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.2215 |
| SMILES | C#CC(OCC)(OCC)OCC |
| Synonyms | 3,3,3-triethoxyprop-1-yne,
1-Propyne, 3,3,3-triethoxy-,
3,3,3-triethoxy-1-propyne,
42217-00-5,
3,3,3-Triethoxypropyne,
SCHEMBL852665,
3,3,3-triethoxy-prop-1-yne,
MXIIFPFEQROLEO-UHFFFAOYSA-N,
ZINC114710001,
CID10920972,
|
| Complexity | 139 |
| 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 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number