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7-Octynoic acid
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7-Octynoic acid

Catalog NumberCCR10297093
CAS10297-09-3
Structure
SynonymsOct-7-ynoicacid
IUPAC NameOct-7-ynoic acid
Molecular Weight140.18
Molecular FormulaC8H12O2
Canonical SMILESC#CCCCCCC(=O)O
InChIInChI=1S/C8H12O2/c1-2-3-4-5-6-7-8(9)10/h1H,3-7H2,(H,9,10)
InChI KeyWJBHDZBQZOMDFF-UHFFFAOYSA-N
Boiling Point290.64 °C (Predicted)
Purity98%+
Density1.045 g/cm3(Predicted)
AppearanceLiquid
ApplicationCuAAC & Thiol-Yne & Spontaneous Amino-Yne Click Reaction
Complexity141
Exact Mass140.083729621
Monoisotopic Mass140.083729621
pKa74±0.10(Predicted)
Topological Polar Surface Area37.3 Ų

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