| CAS Number | 4026-21-5 |
| Catalog Number | AG01DWEP(AGN-PC-007G06) |
| Chemical Name | 2-Hydroxy-2,3,3-trimethylbutanoic acid |
| IUPAC Name | 2-hydroxy-2,3,3-trimethylbutanoic acid |
| InChI | InChI=1S/C7H14O3/c1-6(2,3)7(4,10)5(8)9/h10H,1-4H3,(H,8,9) |
| InChI Key | VPZUWGSCTZUBFG-UHFFFAOYSA-N |
| MDL Number | MFCD19228281 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| NSC Number | 245185 |
| SMILES | CC(C(C(O)=O)(O)C)(C)C |
| Synonyms | 2-HtriMeB,
2-hydroxy-2,3,3-trimethylbutanoic acid,
2-hydroxy-2,3,3-trimethylbutanoic acid,
4026-21-5,
NSC245185,
AC1L7UOB,
SCHEMBL1953736,
DTXSID10311770,
AKOS006378986,
NSC-245185,
CID316801,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 146.094g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.186g/mol |
| Monoisotopic Mass | 146.094g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number