Benzoic acid, 4-propyl-, 4-pentylphenyl ester


Chemical Name: Benzoic acid, 4-propyl-, 4-pentylphenyl ester
CAS Number: 50649-60-0
Product Number: AG003LYK(AGN-PC-0JPRMS)
Synonyms:
MDL No: MFCD00041941
Molecular Formula: C21H26O2
Molecular Weight: 310.4299

Identification/Properties


Properties
MP:
15-18℃
BP:
433.9°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.543
Computed Properties
Molecular Weight:
310.437g/mol
XLogP3:
7.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
9
Exact Mass:
310.193g/mol
Monoisotopic Mass:
310.193g/mol
Topological Polar Surface Area:
26.3A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
323
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


NMR Spectrum


Other Analytical Data


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