| CAS Number | 74460-84-7 |
| Catalog Number | AG00FHFB(AGN-PC-00MJD0) |
| Chemical Name | ETHYL 2,2-DIMETHYLBUT-3-YNOATE |
| IUPAC Name | ethyl 2,2-dimethylbut-3-ynoate |
| InChI | InChI=1S/C8H12O2/c1-5-8(3,4)7(9)10-6-2/h1H,6H2,2-4H3 |
| InChI Key | ZIOOOGZVOREKTG-UHFFFAOYSA-N |
| MDL Number | MFCD14635827 |
| Molecular Formula | C8H12O2 |
| Molecular Weight | 140.1797 |
| SMILES | CCOC(=O)C(C#C)(C)C |
| Synonyms | Ethyl 2,2-dimethylbut-3-ynoate,
74460-84-7,
SCHEMBL20136923,
MFCD14635827,
ZINC78505885,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 140.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 140.182g/mol |
| Monoisotopic Mass | 140.084g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number