| CAS Number | 73839-20-0 |
| Catalog Number | AG005KBG(AGN-PC-00MRZO) |
| Chemical Name | Hexanoic acid,6-hydroxy-, 1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 6-hydroxyhexanoate |
| InChI | InChI=1S/C10H20O3/c1-10(2,3)13-9(12)7-5-4-6-8-11/h11H,4-8H2,1-3H3 |
| InChI Key | AKNVIQFNWMMKEE-UHFFFAOYSA-N |
| MDL Number | MFCD09952156 |
| Molecular Formula | C10H20O3 |
| Molecular Weight | 188.2640 |
| SMILES | C(=O)(CCCCCO)OC(C)(C)C |
| Synonyms | TERT-BUTYL 6-HYDROXYHEXANOATE,
73839-20-0,
Hexanoic acid,6-hydroxy-, 1,1-dimethylethyl ester,
SCHEMBL2099463,
CTK5D8771,
DTXSID00542071,
AKNVIQFNWMMKEE-UHFFFAOYSA-N,
ZINC22053802,
AKOS006310997,
6-Hydroxyhexanoic acid tert-butyl ester,
FT-0664134,
6-Hydroxy-hexanoic Acid 1,1-Dimethylethyl Ester,
Hexanoic acid, 6-hydroxy-, 1,1-dimethylethyl ester,
tert-Butyl6-Hydroxyhexanoate,
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| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.141g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.267g/mol |
| Monoisotopic Mass | 188.141g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number