Benzene, 1-ethynyl-4-(pentyloxy)-


Chemical Name: Benzene, 1-ethynyl-4-(pentyloxy)-
CAS Number: 79887-16-4
Product Number: AG003EA6(AGN-PC-0KKWN4)
Synonyms:
MDL No:
Molecular Formula: C13H16O
Molecular Weight: 188.2655

Identification/Properties


Properties
BP:
271.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
1.527
Computed Properties
Molecular Weight:
188.27g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
6
Exact Mass:
188.12g/mol
Monoisotopic Mass:
188.12g/mol
Topological Polar Surface Area:
9.2A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
181
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
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:
H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P271-P280-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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