| CAS Number | 53399-77-2 |
| Catalog Number | AG01EAAK(AGN-PC-0OBVVQ) |
| Chemical Name | (3R)-2-methylbutane-2,3-diol |
| IUPAC Name | (3R)-2-methylbutane-2,3-diol |
| InChI | InChI=1S/C5H12O2/c1-4(6)5(2,3)7/h4,6-7H,1-3H3/t4-/m1/s1 |
| InChI Key | IDEOPBXRUBNYBN-SCSAIBSYSA-N |
| MDL Number | MFCD31616171 |
| Molecular Formula | C5H12O2 |
| Molecular Weight | 104.1476 |
| SMILES | CC(C)([C@@H](C)O)O |
| Synonyms | 53399-77-2,
(R)-2-Methylbutane-2,3-diol,
(2r)-3-methyl-2,3-butanediol,
SCHEMBL2148806,
CTK4J7884,
DTXSID20489994,
(R)-2-methyl-butane-2,3-diol,
IDEOPBXRUBNYBN-SCSAIBSYSA-N,
(3R)-2-Methylbutane-2,3-diol,
ZINC402155,
2,3-BUTANEDIOL, 2-METHYL-, (3R)-,
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| Complexity | 59.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 104.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 104.149g/mol |
| Monoisotopic Mass | 104.084g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number