3-Hexyne-2,5-diol

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Catalog Number
ACM3031661-1
Product Name
3-Hexyne-2,5-diol
Structure
Structure
CAS
3031-66-1
Category
Heterocyclic Organic Compound
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
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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