Methyl 3-ethynyl-4-methylbenzoate


Chemical Name: Methyl 3-ethynyl-4-methylbenzoate
CAS Number: 1255099-13-8
Product Number: AG000NRH(AGN-PC-0WCYAC)
Synonyms:
MDL No: MFCD17926442
Molecular Formula: C11H10O2
Molecular Weight: 174.1959

Identification/Properties


Computed Properties
Molecular Weight:
174.199g/mol
XLogP3:
2.4
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:
236
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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