| CAS Number | 2100306-78-1 |
| Catalog Number | AG019EDS |
| Chemical Name | t-Butyl 3-(hydroxypropoxyl)-propanoate |
| IUPAC Name | tert-butyl 3-(3-hydroxypropoxy)propanoate |
| InChI | InChI=1S/C10H20O4/c1-10(2,3)14-9(12)5-8-13-7-4-6-11/h11H,4-8H2,1-3H3 |
| InChI Key | NFYYXORESKNQKM-UHFFFAOYSA-N |
| MDL Number | MFCD30730362 |
| Molecular Formula | C10H20O4 |
| Molecular Weight | 204.2634 |
| SMILES | C(=O)(CCOCCCO)OC(C)(C)C |
| Synonyms | t-Butyl 3-(hydroxypropoxyl)-propanoate,
2100306-78-1,
BP-23636,
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| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.266g/mol |
| Monoisotopic Mass | 204.136g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
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