| CAS Number | 28892-68-4 |
| Catalog Number | AG01A19T(AGN-PC-000RJV) |
| Chemical Name | 2-Hydroxy-2-methylpentanoic acid |
| IUPAC Name | 2-hydroxy-2-methylpentanoic acid |
| InChI | InChI=1S/C6H12O3/c1-3-4-6(2,9)5(7)8/h9H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | BIEZUWIUHAKFHZ-UHFFFAOYSA-N |
| MDL Number | MFCD14602049 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| NSC Number | 189698 |
| SMILES | O=C(O)C(O)(C)CCC |
| Synonyms | 2-hydroxy-2-methylpentanoic acid,
28892-68-4,
AKOS010488735,
MCULE-5292180056,
NE32972,
NSC-189698,
FT-0721965,
Z1459947399,
CID426396,
2-hydroxy-2-methyl-pentanoic acid,
NSC189698,
AC1L8HI3,
SCHEMBL381512,
2- Hydroxy-2-methylpentansaure,
2-hydroxy-2-methyl-valeric acid,
DTXSID20330093,
BIEZUWIUHAKFHZ-UHFFFAOYSA-N,
|
| 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 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number