1-Octyn-3-ol, (3S)-


Chemical Name: 1-Octyn-3-ol, (3S)-
CAS Number: 32556-71-1
Product Number: AG003CLX(AGN-PC-0O8XHT)
Synonyms:
MDL No: MFCD00191475
Molecular Formula: C8H14O
Molecular Weight: 126.1962

Identification/Properties


Properties
MP:
-39°C (estimate)
BP:
100 °C20 mm Hg(lit.)
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.442(lit.)
Computed Properties
Molecular Weight:
126.199g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
4
Exact Mass:
126.104g/mol
Monoisotopic Mass:
126.104g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
98.4
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H312-H332
Precautionary Statements:
P280
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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