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125995-00-8 | Propanoic acid, 3,3,3-trifluoro-2-hydroxy-, (2S)-
CAS No: 125995-00-8 Catalog No: AG000QNM MDL No:
Product Description
Catalog Number:
AG000QNM
Chemical Name:
Propanoic acid, 3,3,3-trifluoro-2-hydroxy-, (2S)-
CAS Number:
125995-00-8
Molecular Formula:
C3H3F3O3
Molecular Weight:
144.0493
IUPAC Name:
(2S)-3,3,3-trifluoro-2-hydroxypropanoic acid
InChI:
InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m0/s1
InChI Key:
BVKGUTLIPHZYCX-SFOWXEAESA-N
SMILES:
O[C@H](C(F)(F)F)C(=O)O
Properties
Complexity:
118
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
144.003g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
144.049g/mol
Monoisotopic Mass:
144.003g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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