| CAS Number | 107540-02-3 |
| Catalog Number | AG01DUYB(AGN-PC-001HSO) |
| Chemical Name | Ethyl 2,2-dimethylpent-4-ynoate |
| IUPAC Name | ethyl 2,2-dimethylpent-4-ynoate |
| InChI | InChI=1S/C9H14O2/c1-5-7-9(3,4)8(10)11-6-2/h1H,6-7H2,2-4H3 |
| InChI Key | JVIMTZKDPIEVNB-UHFFFAOYSA-N |
| MDL Number | MFCD22023966 |
| Molecular Formula | C9H14O2 |
| Molecular Weight | 154.2063 |
| SMILES | CC(C(=O)OCC)(CC#C)C |
| Synonyms | ethyl 2,2-dimethylpent-4-ynoate,
107540-02-3,
SCHEMBL1313060,
Ethyl 2,2-dimethyl-4-pentynoate,
JVIMTZKDPIEVNB-UHFFFAOYSA-N,
ZINC34302021,
DA-15819,
2,2-Dimethyl-4-pentynoic acid ethyl ester,
2,2-Dimethyl-pent-4-ynoic acid ethyl ester,
FT-0743031,
4-Pentynoic acid, 2,2-dimethyl-, ethyl ester,
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| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 154.099g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.209g/mol |
| Monoisotopic Mass | 154.099g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number