Benzeneacetic acid, 4-butoxy-


Chemical Name: Benzeneacetic acid, 4-butoxy-
CAS Number: 4547-57-3
Product Number: AG003K9R(AGN-PC-0JLRA0)
Synonyms:
MDL No:
Molecular Formula: C12H16O3
Molecular Weight: 208.2536

Identification/Properties


Properties
MP:
80-85 °C
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
208.257g/mol
XLogP3:
2.8
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#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P301+P312+P330-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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