| CAS Number | 1067-88-5 |
| Catalog Number | AG019P4W(AGN-PC-0KL2S0) |
| Chemical Name | Diethyl (prop-1-yn-1-yl)phosphonate |
| IUPAC Name | 1-diethoxyphosphorylprop-1-yne |
| InChI | InChI=1S/C7H13O3P/c1-4-7-11(8,9-5-2)10-6-3/h5-6H2,1-3H3 |
| InChI Key | QJUYNZSVUSXZFS-UHFFFAOYSA-N |
| MDL Number | MFCD00463611 |
| Molecular Formula | C7H13O3P |
| Molecular Weight | 176.1501 |
| SMILES | CCOP(C#CC)(OCC)=O |
| Synonyms | diethyl (prop-1-yn-1-yl)phosphonate,
1067-88-5,
diethyl prop-1-yn-1-ylphosphonate,
1-diethoxyphosphorylprop-1-yne,
AC1MD64E,
AC1Q38B0,
SCHEMBL13259195,
CTK0G3229,
DTXSID80382750,
1-Propinphosphonsaure-diethylester,
ZINC2565700,
1-Propynylphosphonic acid diethyl ester,
NE38378,
Phosphonic acid, 1-propynyl-, diethyl ester,
EN300-19683,
CID2784309,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.152g/mol |
| Monoisotopic Mass | 176.06g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number