Benzenepropanoic acid, 4-(2-methylpropyl)-


Chemical Name: Benzenepropanoic acid, 4-(2-methylpropyl)-
CAS Number: 65322-85-2
Product Number: AG0033GJ(AGN-PC-0MUA8X)
Synonyms:
MDL No:
Molecular Formula: C13H18O2
Molecular Weight: 206.2808

Identification/Properties


Properties
MP:
63 - 66°C
BP:
327.445 °C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
206.285g/mol
XLogP3:
3.3
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
5
Exact Mass:
206.131g/mol
Monoisotopic Mass:
206.131g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
191
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:
H302-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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