| CAS Number | 31995-08-1 |
| Catalog Number | AG00D0IO(AGN-PC-00PP1R) |
| Chemical Name | 3-(2-Methoxyethoxy)prop-1-yne |
| IUPAC Name | 3-(2-methoxyethoxy)prop-1-yne |
| InChI | InChI=1S/C6H10O2/c1-3-4-8-6-5-7-2/h1H,4-6H2,2H3 |
| InChI Key | QBAUXHLFPCHTQH-UHFFFAOYSA-N |
| MDL Number | MFCD13192005 |
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.1424 |
| SMILES | COCCOCC#C |
| Synonyms | 3-(2-methoxyethoxy)prop-1-yne,
31995-08-1,
3-(2-Methoxy-ethoxy)propyne,
SCHEMBL1394152,
3-(2-methoxyethoxy)-1-propyne,
DTXSID50574408,
QBAUXHLFPCHTQH-UHFFFAOYSA-N,
MFCD13192005,
ZINC73632034,
AKOS015995830,
1-methoxy-2-(prop-2-yn-1-yloxy)ethane,
AS-55075,
CS-0038923,
|
| 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 | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 114.144g/mol |
| Monoisotopic Mass | 114.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number