Benzenepentanoic acid, methyl ester


Chemical Name: Benzenepentanoic acid, methyl ester
CAS Number: 20620-59-1
Product Number: AG002AKX(AGN-PC-0CJJTW)
Synonyms:
MDL No:
Molecular Formula: C12H16O2
Molecular Weight: 192.2542

Identification/Properties


Properties
BP:
271.1°C at 760 mmHg
Storage:
Room Temperature;
Form:
Liquid
Refractive Index:
1.4950 to 1.4980
Computed Properties
Molecular Weight:
192.258g/mol
XLogP3:
3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
6
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:
160
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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