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(S) -Trifluorolactic Acid

CAT: 0024-sc-212899Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-212899Size:1 g
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CAS Number
125995-00-8

Chemical Information

(2S)-3,3,3-trifluoro-2-hydroxypropanoic acid
CAS Number125995-00-8
PubChem CID7457723
IUPAC Name(2S)-3,3,3-trifluoro-2-hydroxypropanoic acid
Molecular FormulaC3H3F3O3
Molecular Weight144.05
XLogP0.3
Topological Polar Surface Area57.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity118
SMILES
[C@H](C(=O)O)(C(F)(F)F)O
InChI
InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m0/s1
InChIKey
BVKGUTLIPHZYCX-SFOWXEAESA-N
Chemical Structure
2D Structure
2D structure of (2S)-3,3,3-trifluoro-2-hydroxypropanoic acid
CAS: 125995-00-8
CID: 7457723
Formula: C3H3F3O3
MW: 144.05
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight144.05
XLogP30.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass144.00342844
Monoisotopic Mass144.00342844
Topological Polar Surface Area57.5 Ų
Heavy Atom Count9
Formal Charge0
Complexity118
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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