4-Pentyn-2-ol


Chemical Name: 4-Pentyn-2-ol
CAS Number: 2117-11-5
Product Number: AG003LYN(AGN-PC-0JLZVP)
Synonyms:
MDL No:
Molecular Formula: C5H8O
Molecular Weight: 84.1164

Identification/Properties


Properties
BP:
126.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Computed Properties
Molecular Weight:
84.118g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
84.058g/mol
Monoisotopic Mass:
84.058g/mol
Topological Polar Surface Area:
20.2A^2
Heavy Atom Count:
6
Formal Charge:
0
Complexity:
67.3
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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:
Danger
UN#:
1987
Hazard Statements:
H226-H315-H319
Precautionary Statements:
P210-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235
Class:
3
Packing Group:

NMR Spectrum


Other Analytical Data


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