Benzoic acid, 4-ethynyl-, ethyl ester


Chemical Name: Benzoic acid, 4-ethynyl-, ethyl ester
CAS Number: 10602-03-6
Product Number: AG003QAN(AGN-PC-00PLEE)
Synonyms:
MDL No: MFCD00168821
Molecular Formula: C11H10O2
Molecular Weight: 174.1959

Identification/Properties


Properties
MP:
28℃
BP:
257.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
174.199g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
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:
216
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


NMR Spectrum


Other Analytical Data


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