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128899-79-6 | Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, (3S)-
CAS No: 128899-79-6 Catalog No: AG000YHE MDL No:
Product Description
Catalog Number:
AG000YHE
Chemical Name:
Butanoic acid, 4,4,4-trifluoro-3-hydroxy-, (3S)-
CAS Number:
128899-79-6
Molecular Formula:
C4H5F3O3
Molecular Weight:
158.0759
IUPAC Name:
(3S)-4,4,4-trifluoro-3-hydroxybutanoic acid
InChI:
InChI=1S/C4H5F3O3/c5-4(6,7)2(8)1-3(9)10/h2,8H,1H2,(H,9,10)/t2-/m0/s1
InChI Key:
ASQMUMZEQLWJRC-REOHCLBHSA-N
SMILES:
O[C@H](C(F)(F)F)CC(=O)O
Properties
Complexity:
130
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:
2
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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