2-deuterio-2-[2,3,5,6-tetradeuterio-4-(2-methylpropyl)phenyl]propanoic acid


Chemical Name: 2-deuterio-2-[2,3,5,6-tetradeuterio-4-(2-methylpropyl)phenyl]propanoic acid
CAS Number: 15687-27-1
Product Number: AG003LL0(AGN-PC-008U46)
Synonyms:
MDL No: MFCD00010393
Molecular Formula: C13H18O2
Molecular Weight: 206.2808

Identification/Properties


Properties
MP:
77-78 °C(lit.)
BP:
319.6°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Refractive Index:
1.5500 (estimate)
Computed Properties
Molecular Weight:
206.285g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
4
Exact Mass:
206.131g/mol
Monoisotopic Mass:
206.131g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
203
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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