| CAS Number | 134807-43-5 |
| Catalog Number | AG00HTSH(AGN-PC-0O16Q8) |
| Chemical Name | Butanedioic acid, (1-methylethyl)-, 4-(1,1-dimethylethyl) ester, (S)- |
| IUPAC Name | (2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-ylbutanoic acid |
| InChI | InChI=1S/C11H20O4/c1-7(2)8(10(13)14)6-9(12)15-11(3,4)5/h7-8H,6H2,1-5H3,(H,13,14)/t8-/m0/s1 |
| InChI Key | QMCJVFYCDSYHGW-QMMMGPOBSA-N |
| MDL Number | MFCD21607472 |
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.2741 |
| SMILES | O=C(O)[C@H](C(C)C)CC(OC(C)(C)C)=O |
| Synonyms | (S)-4-(TERT-BUTOXY)-2-ISOPROPYL-4-OXOBUTANOIC ACID,
134807-43-5,
SCHEMBL1914918,
MFCD21607472,
ZINC36420899,
AKOS027329461,
AS-36505,
AX8266679,
X-2447,
Butanedioic acid, (1-methylethyl)-, 4-(1,1-dimethylethyl) ester, (S)-,
CID11769885,
(2S)-4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-propan-2-yl-butanoic Acid,
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| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.277g/mol |
| Monoisotopic Mass | 216.136g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 63.6A^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