Benzeneacetic acid, a-ethyl-, ethyl ester


Chemical Name: Benzeneacetic acid, a-ethyl-, ethyl ester
CAS Number: 119-43-7
Product Number: AG0077XS(AGN-PC-0PDBMO)
Synonyms:
MDL No:
Molecular Formula: C12H16O2
Molecular Weight: 192.2542

Identification/Properties


Computed Properties
Molecular Weight:
192.258g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
192.115g/mol
Monoisotopic Mass:
192.115g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
171
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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