2-Butynoic acid, phenylmethyl ester 59040-31-2 wiki

1.2 Synonyms: 2-Butynoic acid benzyl ester; Benzyl 2-butynoate; Benzyl But-2-ynoate; CTK1E8284; DTXSID50446358;

1.6 Inchi: InChI=1S/C11H10O2/c1-2-6-11(12)13-9-10-7-4-3-5-8-10/h3-5,7-8H,9H2,1H3

5396-89-4 38 Suppliers

59040-31-2

3. Precursor and Product

precursor:

5396-89-4

4. Computed Properties

Molecular Weight：174.2g/mol
Molecular Formula：C₁₁H₁₀O₂
Compound Is Canonicalized：True
XLogP3-AA：174.068079557
Monoisotopic Mass：174.068079557
Complexity：225
Rotatable Bond Count：3
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：2
Topological Polar Surface Area：26.3
Heavy Atom Count：：13
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBwMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGgAAAAAADACgmAIyCIAABADIEiDSCAACAAAgAAAIiAAACIgIJiKAMRiCMAAkwAEIqAeAwCAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

5. Realated Product Infomation