| CAS Number | 5980-21-2 |
| Catalog Number | AG01A1W5(AGN-PC-0N3RW1) |
| Chemical Name | 3-Hydroxy-4-methylpentanoic acid |
| IUPAC Name | 3-hydroxy-4-methylpentanoic acid |
| InChI | InChI=1S/C6H12O3/c1-4(2)5(7)3-6(8)9/h4-5,7H,3H2,1-2H3,(H,8,9) |
| InChI Key | BOAHYOWLXYZJSN-UHFFFAOYSA-N |
| MDL Number | MFCD16300724 |
| Molecular Formula | C6H12O3 |
| Molecular Weight | 132.1577 |
| SMILES | CC(C(CC(O)=O)O)C |
| Synonyms | 3-hydroxy-4-methylpentanoic acid,
5980-21-2,
Pentanoic acid, 3-hydroxy-4-methyl-,
(3R)-3-Hydroxy-4-methylpentanoic acid,
3-hydroxy-4-methylvalerate,
3-Hydroxy-isocapronsaure,
SCHEMBL666609,
CTK1E6487,
DTXSID40505483,
3-hydroxy-4-methyl-pentanoic acid,
MFCD16300724,
AKOS011683010,
MCULE-2577623422,
NE19868,
NS-01053,
FT-0696788,
Z1495385171,
(3S)-3-Hydroxy-4-methylpentanoic acid,
63674-22-6,
77981-87-4,
|
| Complexity | 98.5 |
| 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 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number