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83577-93-9 | L-Proline, 1-(trifluoroacetyl)-4-[(trifluoroacetyl)oxy]-, trans-
CAS No: 83577-93-9 Catalog No: AG004Z9T MDL No:
Product Description
Catalog Number:
AG004Z9T
Chemical Name:
L-Proline, 1-(trifluoroacetyl)-4-[(trifluoroacetyl)oxy]-, trans-
CAS Number:
83577-93-9
Molecular Formula:
C9H7F6NO5
Molecular Weight:
323.1460
IUPAC Name:
(2S,4R)-1-(2,2,2-trifluoroacetyl)-4-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C9H7F6NO5/c10-8(11,12)6(19)16-2-3(1-4(16)5(17)18)21-7(20)9(13,14)15/h3-4H,1-2H2,(H,17,18)/t3-,4+/m1/s1
InChI Key:
QAASQCXWPPNADD-DMTCNVIQSA-N
SMILES:
OC(=O)[C@@H]1C[C@H](CN1C(=O)C(F)(F)F)OC(=O)C(F)(F)F
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
323.023g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.147g/mol
Monoisotopic Mass:
323.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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