3-Butyn-2-one, 4-phenyl-


Chemical Name: 3-Butyn-2-one, 4-phenyl-
CAS Number: 1817-57-8
Product Number: AG00232E(AGN-PC-0JLBOX)
Synonyms:
MDL No:
Molecular Formula: C10H8O
Molecular Weight: 144.1699

Identification/Properties


Properties
MP:
4 °C
BP:
252.942°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.574(lit.)
Computed Properties
Molecular Weight:
144.173g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
144.058g/mol
Monoisotopic Mass:
144.058g/mol
Topological Polar Surface Area:
17.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
197
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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