methyl (2R)-2-hydroxy-4-methylpentanoate - CAS 112529-90-5
Catalog: |
BB054471 |
Product Name: |
methyl (2R)-2-hydroxy-4-methylpentanoate |
CAS: |
112529-90-5 |
Synonyms: |
methyl(2R)-2-hydroxy-4-methylpentanoate |
IUPAC Name: | methyl (2R)-2-hydroxy-4-methylpentanoate |
Molecular Weight: | 146.18 |
Molecular Formula: | C7H14O3 |
Canonical SMILES: | CC(C)CC(C(=O)OC)O |
InChI: | InChI=1S/C7H14O3/c1-5(2)4-6(8)7(9)10-3/h5-6,8H,4H2,1-3H3/t6-/m1/s1 |
InChI Key: | JOSNYUDSMPILKL-ZCFIWIBFSA-N |
Boiling Point: | 181.6±8.0 °C at 760 mmHg |
Density: | 1.0±0.1 g/cm3 |
Complexity: | 109 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 1 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.094294304 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.094294304 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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