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116287-37-7 | Hexanoic acid, 2-hydroxy-6-[(trifluoroacetyl)amino]-, (S)- (9CI)
CAS No: 116287-37-7 Catalog No: AG000C3U MDL No:
Product Description
Catalog Number:
AG000C3U
Chemical Name:
Hexanoic acid, 2-hydroxy-6-[(trifluoroacetyl)amino]-, (S)- (9CI)
CAS Number:
116287-37-7
Molecular Formula:
C8H12F3NO4
Molecular Weight:
243.1804
IUPAC Name:
2-hydroxy-6-[(2,2,2-trifluoroacetyl)amino]hexanoic acid
InChI:
InChI=1S/C8H12F3NO4/c9-8(10,11)7(16)12-4-2-1-3-5(13)6(14)15/h5,13H,1-4H2,(H,12,16)(H,14,15)
InChI Key:
MWFJJOFIBGGADK-UHFFFAOYSA-N
SMILES:
OC(=O)[C@H](CCCCNC(=O)C(F)(F)F)O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.182g/mol
Monoisotopic Mass:
243.072g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
86.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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