Benzoic acid, 4-hydroxy-, pentyl ester


Chemical Name: Benzoic acid, 4-hydroxy-, pentyl ester
CAS Number: 6521-29-5
Product Number: AG003LJ4(AGN-PC-0BSKE3)
Synonyms:
MDL No:
Molecular Formula: C12H16O3
Molecular Weight: 208.2536

Identification/Properties


Properties
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
208.257g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
6
Exact Mass:
208.11g/mol
Monoisotopic Mass:
208.11g/mol
Topological Polar Surface Area:
46.5A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
183
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#:
-
Hazard Statements:
H315-H317-H319
Precautionary Statements:
P261-P264-P272-P280-P302+P352+P333+P313+P363-P305+P351+P338+P337+P313-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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