Benzenebutanoic acid


Chemical Name: Benzenebutanoic acid
CAS Number: 1821-12-1
Product Number: AG0023DD(AGN-PC-006I8K)
Synonyms:
MDL No:
Molecular Formula: C10H12O2
Molecular Weight: 164.2011

Identification/Properties


Properties
MP:
49-51 °C
BP:
290.7°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5405 (estimate)
Solubility:
5.3g/l
Computed Properties
Molecular Weight:
164.204g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
164.084g/mol
Monoisotopic Mass:
164.084g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
137
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-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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