Benzeneacetic acid, a-(methyl-d3)-4-(2-methylpropyl)-(9CI)


Chemical Name: Benzeneacetic acid, a-(methyl-d3)-4-(2-methylpropyl)-(9CI)
CAS Number: 121662-14-4
Product Number: AG0015JK(AGN-PC-0PFQLX)
Synonyms:
MDL No: MFCD06658737
Molecular Formula: C13H15D3O2
Molecular Weight: 209.2993

Identification/Properties


Computed Properties
Molecular Weight:
209.303g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
209.15g/mol
Monoisotopic Mass:
209.15g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
203
Isotope Atom Count:
3
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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