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6960-37-8 | Tyrosine,3-(trifluoromethyl)-
CAS No: 6960-37-8 Catalog No: AG005K26 MDL No:
Product Description
Catalog Number:
AG005K26
Chemical Name:
Tyrosine,3-(trifluoromethyl)-
CAS Number:
6960-37-8
Molecular Formula:
C10H10F3NO3
Molecular Weight:
249.1865
IUPAC Name:
2-amino-3-[4-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
InChI:
InChI=1S/C10H10F3NO3/c11-10(12,13)6-3-5(1-2-8(6)15)4-7(14)9(16)17/h1-3,7,15H,4,14H2,(H,16,17)
InChI Key:
DPWIMPAXOXJIHA-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](Cc1ccc(c(c1)C(F)(F)F)O)N
NSC Number:
69868
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
249.189g/mol
Monoisotopic Mass:
249.061g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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