2-Methylbutane-2,3-diol - CAS 5396-58-7
Catalog: |
BB054677 |
Product Name: |
2-Methylbutane-2,3-diol |
CAS: |
5396-58-7 |
Synonyms: |
2-Methyl-2,3-butanediol; 2,3-Butanediol, 2-methyl-; 2,3-Dihydroxy-2-methylbutane; 2-Methyl-butane-2,3-diol; NSC4324; NSC 4324 |
Related CAS: | 53399-77-2 (R-isomer)
|
IUPAC Name: | 2-methylbutane-2,3-diol |
Molecular Weight: | 104.15 |
Molecular Formula: | C5H12O2 |
Canonical SMILES: | CC(C(C)(C)O)O |
InChI: | InChI=1S/C5H12O2/c1-4(6)5(2,3)7/h4,6-7H,1-3H3 |
InChI Key: | IDEOPBXRUBNYBN-UHFFFAOYSA-N |
Boiling Point: | 175.0±0.0°C at 760 mmHg |
Purity: | ≥95% |
Density: | 0.9690±0.1 g/cm3 |
Storage: | Store at RT |
Complexity: | 59.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 104.083729621 |
Formal Charge: | 0 |
Heavy Atom Count: | 7 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 104.083729621 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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