Benzenebutanoic acid, 4-methyl-


Chemical Name: Benzenebutanoic acid, 4-methyl-
CAS Number: 4521-22-6
Product Number: AG0033TX(AGN-PC-0JLR9D)
Synonyms:
MDL No:
Molecular Formula: C11H14O2
Molecular Weight: 178.2277

Identification/Properties


Properties
MP:
54-58 °C
BP:
308.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5190 (estimate)
Computed Properties
Molecular Weight:
178.231g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
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:
158
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:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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