2-Propynoic acid, 3-phenyl-, ethyl ester


Chemical Name: 2-Propynoic acid, 3-phenyl-, ethyl ester
CAS Number: 2216-94-6
Product Number: AG003QGM(AGN-PC-0JLZ78)
Synonyms:
MDL No:
Molecular Formula: C11H10O2
Molecular Weight: 174.1959

Identification/Properties


Properties
BP:
265°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
n20/D 1.552(lit.)
Computed Properties
Molecular Weight:
174.199g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
174.068g/mol
Monoisotopic Mass:
174.068g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
225
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:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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