| CAS Number | 52221-07-5 |
| Catalog Number | AG01BEN7(AGN-PC-0OBO9K) |
| Chemical Name | 6-(tert-Butoxy)-6-oxohexanoic acid |
| IUPAC Name | 6-[(2-methylpropan-2-yl)oxy]-6-oxohexanoic acid |
| InChI | InChI=1S/C10H18O4/c1-10(2,3)14-9(13)7-5-4-6-8(11)12/h4-7H2,1-3H3,(H,11,12) |
| InChI Key | SNOPFBNMUDQLMF-UHFFFAOYSA-N |
| MDL Number | MFCD24479669 |
| Molecular Formula | C10H18O4 |
| Molecular Weight | 202.2475 |
| SMILES | C(C)(C)(C)OC(CCCCC(=O)O)=O |
| Synonyms | 6-(tert-Butoxy)-6-oxohexanoic acid,
52221-07-5,
Hexanedioic acid, 1-(1,1-dimethylethyl) ester,
6-tert-butoxy-6-oxohexanoic acid,
Adipic acid monotert-butyl,
SCHEMBL1403596,
SNOPFBNMUDQLMF-UHFFFAOYSA-N,
5-tert-butoxycarbonylpentanoic acid,
MFCD24479669,
ZINC34764766,
hexanedioic acid mono-tert-butyl ester,
DA-05218,
AK00739582,
FT-0746159,
Hexanedioic acid, 1-(1, 1-dimethyllethyl) ester,
A1-00860,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 202.121g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 202.25g/mol |
| Monoisotopic Mass | 202.121g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number