| CAS Number | 6922-55-0 |
| Catalog Number | AG01C1YP(AGN-PC-03TXRX) |
| Chemical Name | 2-(Hydroxymethyl)-2-methylbutanoic acid |
| IUPAC Name | 2-(hydroxymethyl)-2-methylbutanoic acid |
| InChI | InChI=1S/C6H12O3/c1-3-6(2,4-7)5(8)9/h7H,3-4H2,1-2H3,(H,8,9) |
| InChI Key | XSEPYPDPHNTXBX-UHFFFAOYSA-N |
| MDL Number | MFCD19228612 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | CCC(C(O)=O)(CO)C |
| Synonyms | 2-(hydroxymethyl)-2-methylbutanoic acid,
6922-55-0,
SCHEMBL4905958,
AKOS006376664,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 132.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 132.159g/mol |
| Monoisotopic Mass | 132.079g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number