Benzenebutanoic acid, a-hydroxy-, ethyl ester, (aR)-


Chemical Name: Benzenebutanoic acid, a-hydroxy-, ethyl ester, (aR)-
CAS Number: 90315-82-5
Product Number: AG003PZL(AGN-PC-0VQCEC)
Synonyms:
MDL No: MFCD00077794
Molecular Formula: C12H16O3
Molecular Weight: 208.2536

Identification/Properties


Properties
MP:
NA
BP:
212 °C(lit.)
Storage:
-10 ℃;
Form:
Liquid
Refractive Index:
n20/D 1.504(lit.)
Computed Properties
Molecular Weight:
208.257g/mol
XLogP3:
2.2
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:
185
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
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


NMR Spectrum


Other Analytical Data


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