Benzeneacetic acid, a-cyclopentyl-


Chemical Name: Benzeneacetic acid, a-cyclopentyl-
CAS Number: 3900-93-4
Product Number: AG003NSI(AGN-PC-0RIDC2)
Synonyms:
MDL No:
Molecular Formula: C13H16O2
Molecular Weight: 204.2649

Identification/Properties


Properties
MP:
98-100 °C(lit.)
BP:
337.2°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5180 (estimate)
Solubility:
methanol: soluble50mg/mL, clear, colorless
Computed Properties
Molecular Weight:
204.269g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
204.115g/mol
Monoisotopic Mass:
204.115g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
213
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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