CAS
94161-10-1 Purity
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94161-10-1 Purity
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Specification
The molecular formula is C6H12O3.
The molecular weight is 132.16 g/mol.
The IUPAC name is 6-(hydroxymethyl)oxan-3-ol.
The InChI is InChI=1S/C6H12O3/c7-3-6-2-1-5(8)4-9-6/h5-8H,1-4H2.
The InChIKey is SOCMOTOHJWIJEQ-UHFFFAOYSA-N.
The canonical SMILES is C1CC(OCC1O)CO.
The CAS number is 94249-15-7.
It has 2 hydrogen bond donor counts.
The topological polar surface area is 49.7 Ų.
Yes, it is a canonicalized compound.