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1788054-78-3 | (2R,3R)-rel-3-(2,2,2-Trifluoroacetoxy)pyrrolidine-2-carboxylic acid
CAS No: 1788054-78-3 Catalog No: AG0026D2 MDL No:MFCD28975422
Product Description
Catalog Number:
AG0026D2
Chemical Name:
(2R,3R)-rel-3-(2,2,2-Trifluoroacetoxy)pyrrolidine-2-carboxylic acid
CAS Number:
1788054-78-3
Molecular Formula:
C7H8F3NO4
Molecular Weight:
227.1379
MDL Number:
MFCD28975422
IUPAC Name:
(2R,3R)-3-(2,2,2-trifluoroacetyl)oxypyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C7H8F3NO4/c8-7(9,10)6(14)15-3-1-2-11-4(3)5(12)13/h3-4,11H,1-2H2,(H,12,13)/t3-,4-/m1/s1
InChI Key:
MTMNFOBQEFMHCG-QWWZWVQMSA-N
SMILES:
O=C(C(F)(F)F)O[C@@H]1CCN[C@H]1C(=O)O
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
227.041g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
227.139g/mol
Monoisotopic Mass:
227.041g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.7
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