Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, (2R)-


Chemical Name: Propanoic acid, 3,3,3-trifluoro-2-hydroxy-2-methyl-, (2R)-
CAS Number: 44864-47-3
Product Number: AG0032F4(AGN-PC-0OAHN0)
Synonyms:
MDL No: MFCD03095400
Molecular Formula: C4H5F3O3
Molecular Weight: 158.0759

Identification/Properties


Properties
MP:
110 °C
BP:
247.4°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Refractive Index:
16.5 ° (C=5, H2O)
Computed Properties
Molecular Weight:
158.076g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
1
Exact Mass:
158.019g/mol
Monoisotopic Mass:
158.019g/mol
Topological Polar Surface Area:
57.5A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
152
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


GHS Pictogram:
Signal Word:
Danger
UN#:
3261
Hazard Statements:
H290-H314
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
8
Packing Group:

NMR Spectrum


PNMR/R-333-TRIFLUORO-2-HYDROXY-2-METHYLPROPIONIC_ACID-44864-47-3-hnmr.pdf

Other Analytical Data


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