Benzoic acid, hydroxy-, octyl ester


Chemical Name: Benzoic acid, hydroxy-, octyl ester
CAS Number: 6969-49-9
Product Number: AG005UT6(AGN-PC-0JL53T)
Synonyms:
MDL No:
Molecular Formula: C15H22O3
Molecular Weight: 250.3334

Identification/Properties


Properties
BP:
336.6°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
250.338g/mol
XLogP3:
6.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
9
Exact Mass:
250.157g/mol
Monoisotopic Mass:
250.157g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
228
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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