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24435-45-8 | (S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid
CAS No: 24435-45-8 Catalog No: AG003CLL MDL No:MFCD07375449
Product Description
Catalog Number:
AG003CLL
Chemical Name:
(S)-3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid
CAS Number:
24435-45-8
Molecular Formula:
C4H5F3O3
Molecular Weight:
158.0759
MDL Number:
MFCD07375449
IUPAC Name:
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoic acid
InChI:
InChI=1S/C4H5F3O3/c1-3(10,2(8)9)4(5,6)7/h10H,1H3,(H,8,9)/t3-/m0/s1
InChI Key:
CTGJACFEVDCYMC-VKHMYHEASA-N
SMILES:
OC(=O)[C@@](C(F)(F)F)(O)C
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
158.019g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
158.076g/mol
Monoisotopic Mass:
158.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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