Benzeneacetic acid, 4-ethyl-a-methyl-


Chemical Name: Benzeneacetic acid, 4-ethyl-a-methyl-
CAS Number: 3585-52-2
Product Number: AG01AA12(AGN-PC-0RBBH3)
Synonyms:
MDL No:
Molecular Formula: C11H14O2
Molecular Weight: 178.2277

Identification/Properties


Properties
MP:
>35°C (dec.)
Storage:
2-8℃;Inert atmosphere;
Form:
Solid
Computed Properties
Molecular Weight:
178.231g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
178.099g/mol
Monoisotopic Mass:
178.099g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
169
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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