| CAS Number | 41654-19-7 |
| Catalog Number | AG0071FM(AGN-PC-00LQW4) |
| Chemical Name | methyl 2-hydroxy-3-methylpentanoate |
| IUPAC Name | methyl 2-hydroxy-3-methylpentanoate |
| InChI | InChI=1S/C7H14O3/c1-4-5(2)6(8)7(9)10-3/h5-6,8H,4H2,1-3H3 |
| InChI Key | OQXGUAUSWWFHOM-UHFFFAOYSA-N |
| MDL Number | MFCD16693886 |
| Molecular Formula | C7H14O3 |
| Molecular Weight | 146.1843 |
| SMILES | CCC(C)C(C(=O)OC)O |
| Synonyms | Methyl 2-hydroxy-3-methylpentanoate,
41654-19-7,
Pentanoic acid, 2-hydroxy-3-methyl-, methyl ester,
AC1LAV2M,
SCHEMBL9458330,
CTK1D3706,
DTXSID30334542,
OQXGUAUSWWFHOM-UHFFFAOYSA-N,
AKOS011496123,
Methyl 2-hydroxy-3-methylpentanoate #,
2-Hydroxy-3-methylpentanoic acid methyl ester,
CID521064,
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| Complexity | 111 |
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 146.186g/mol |
| Monoisotopic Mass | 146.094g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number