Benzoic acid, 4-hydroxy-, heptyl ester


Chemical Name: Benzoic acid, 4-hydroxy-, heptyl ester
CAS Number: 1085-12-7
Product Number: AG003QV7(AGN-PC-0JKBKU)
Synonyms:
MDL No:
Molecular Formula: C14H20O3
Molecular Weight: 236.3068

Identification/Properties


Properties
MP:
46-51 °C
BP:
353.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5800 (estimate)
Computed Properties
Molecular Weight:
236.311g/mol
XLogP3:
4.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
236.141g/mol
Monoisotopic Mass:
236.141g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
208
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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