Benzoic acid, 2-ethynyl-, methyl ester


Chemical Name: Benzoic acid, 2-ethynyl-, methyl ester
CAS Number: 33577-99-0
Product Number: AG0038SL(AGN-PC-0JQMNM)
Synonyms:
MDL No:
Molecular Formula: C10H8O2
Molecular Weight: 160.1693

Identification/Properties


Computed Properties
Molecular Weight:
160.172g/mol
XLogP3:
2.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
160.052g/mol
Monoisotopic Mass:
160.052g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
211
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

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NMR Spectrum


Other Analytical Data


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