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3-Hexyne-2,5-diol

Catalog Number ACM3031661-1
CAS 3031-66-1
Structure 3-Hexyne-2,5-diol
Synonyms Bis(1-hydroxyethyl)acetylene
IUPAC Name Hex-3-yne-2,5-diol
Molecular Weight 114.14
Molecular Formula C6H10O2
Canonical SMILES CC(C#CC(C)O)O
InChI InChI=1S/C6H10O2/c1-5(7)3-4-6(2)8/h5-8H,1-2H3
InChI Key KDOWHHULNTXTNS-UHFFFAOYSA-N
Boiling Point 121 °C
Melting Point 42 °C
Purity 80%+
Appearance Liquid
Storage Sealed in dry, 2-8 °C
Exact Mass 114.068079557
Hydrogen-Bond Acceptor Count 2
Hydrogen-Bond Donor Count 2
Monoisotopic Mass 114.068079557
Rotatable-Bond Count 0
Topological Polar Surface Area 40.5 Ų
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