| CAS Number | 823-53-0 |
| Catalog Number | AG004YMV(AGN-PC-00B8M6) |
| Chemical Name | 3-(prop-2-yn-1-yl)-1,3-oxazolidin-2-one |
| IUPAC Name | 3-prop-2-ynyl-1,3-oxazolidin-2-one |
| InChI | InChI=1S/C6H7NO2/c1-2-3-7-4-5-9-6(7)8/h1H,3-5H2 |
| InChI Key | LLGPRHHHEVBUJY-UHFFFAOYSA-N |
| MDL Number | MFCD14638387 |
| Molecular Formula | C6H7NO2 |
| Molecular Weight | 125.1253 |
| SMILES | O=C1N(CC#C)CCO1 |
| Synonyms | 823-53-0,
2-Oxazolidinone, 3-(2-propynyl)-,
3-(Prop-2-yn-1-yl)oxazolidin-2-one,
N-propargyl oxazolidinone,
3-Propargyloxazolidine-2-one,
SCHEMBL6177645,
CTK3E0458,
DTXSID00468267,
ZINC34632696,
AKOS010598454,
1-(PROP-2-YNYL)-OXAZOLIDINE-2-ONE,
3-(prop-2-yn-1-yl)-1,3-oxazolidin-2-one,
Z2738925547,
3-prop-2-ynyl-1,3-oxazolidin-2-one,
CID11542783,
3-Prop-2-Yn-1-Yl-1,3-Oxazolidin-2-One,
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| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 125.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 125.127g/mol |
| Monoisotopic Mass | 125.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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