| CAS Number | 73448-14-3 |
| Catalog Number | AG003APL(AGN-PC-0NDLZD) |
| Chemical Name | 5-Hexynoic acid tert-butyl ester |
| IUPAC Name | tert-butyl hex-5-ynoate |
| InChI | InChI=1S/C10H16O2/c1-5-6-7-8-9(11)12-10(2,3)4/h1H,6-8H2,2-4H3 |
| InChI Key | XHIPLUJCVSEZTN-UHFFFAOYSA-N |
| MDL Number | MFCD13192076 |
| Molecular Formula | C10H16O2 |
| Molecular Weight | 168.2328 |
| SMILES | C(C)(C)(C)OC(CCCC#C)=O |
| Synonyms | Tert-butyl Hex-5-ynoate,
73448-14-3,
5-Hexynoic acid tert-butyl ester,
t-butyl 5-hexynoate,
t-Butyl hex-5-ynoate,
5-Hexynoic acid, 1,1-dimethylethyl ester,
SCHEMBL6441761,
XHIPLUJCVSEZTN-UHFFFAOYSA-N,
MFCD28987738,
ZINC141681317,
AS-53540,
CID10964912,
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.115g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.236g/mol |
| Monoisotopic Mass | 168.115g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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