CAS
94109-13-4 Purity
96%
94109-13-4 Purity
96%
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Specification
The molecular formula is C8H14O5.
The molecular weight is 190.19 g/mol.
The IUPAC name is 6-(2-hydroxyethoxy)-6-oxohexanoic acid.
The InChIKey is YXCHMHANQUUDOV-UHFFFAOYSA-N.
The Canonical SMILES is C(CCC(=O)OCCO)CC(=O)O.
The CAS number is 94109-19-0.
It has 2 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
The topological polar surface area is 83.8 Ų.
It has 8 rotatable bond counts.