Benzoic acid, 4-(octyloxy)-, methyl ester


Chemical Name: Benzoic acid, 4-(octyloxy)-, methyl ester
CAS Number: 62435-37-4
Product Number: AG003RW4(AGN-PC-0KK85P)
Synonyms:
MDL No:
Molecular Formula: C16H24O3
Molecular Weight: 264.3600

Identification/Properties


Properties
BP:
362.5°C at 760 mmHg
Computed Properties
Molecular Weight:
264.365g/mol
XLogP3:
5.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
10
Exact Mass:
264.173g/mol
Monoisotopic Mass:
264.173g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
19
Formal Charge:
0
Complexity:
232
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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