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2,5-Dimethyl-3-hexyne-2,5-diol

Catalog Number ACM142303-2
CAS 142-30-3
Structure 2,5-Dimethyl-3-hexyne-2,5-diol
Synonyms Dimethylhexynediol
IUPAC Name 2,5-Dimethylhex-3-yne-2,5-diol
Molecular Weight 142.2
Molecular Formula C8H14O2
Canonical SMILES CC(C)(C#CC(C)(C)O)O
InChI InChI=1S/C8H14O2/c1-7(2,9)5-6-8(3,4)10/h9-10H,1-4H3
InChI Key IHJUECRFYCQBMW-UHFFFAOYSA-N
Boiling Point 121-123 °C
Melting Point 90-94 °C
Purity 98%+
Solubility Soluble in water
Appearance Crystalline powder
Application This product is suitable for scientific research.
Storage Store below +30 °C
Assay 98%
EC Number 205-533-4
Exact Mass 142.099379685
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Hydrogen-Bond Acceptor Count 2
Hydrogen-Bond Donor Count 2
Monoisotopic Mass 142.099379685
Rotatable-Bond Count 2
Topological Polar Surface Area 40.5 Ų
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