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88437-01-8 | Aspartic acid, N-(2,2,3,3,3-pentafluoro-1-oxopropyl)-, 1-butyl ester
CAS No: 88437-01-8 Catalog No: AG004JZC MDL No:
Product Description
Catalog Number:
AG004JZC
Chemical Name:
Aspartic acid, N-(2,2,3,3,3-pentafluoro-1-oxopropyl)-, 1-butyl ester
CAS Number:
88437-01-8
Molecular Formula:
C11H13F5NO5-
Molecular Weight:
334.2166
IUPAC Name:
4-butoxy-4-oxo-3-(2,2,3,3,3-pentafluoropropanoylamino)butanoate
InChI:
InChI=1S/C11H14F5NO5/c1-2-3-4-22-8(20)6(5-7(18)19)17-9(21)10(12,13)11(14,15)16/h6H,2-5H2,1H3,(H,17,21)(H,18,19)/p-1
InChI Key:
QSSVTUNQTFAHJK-UHFFFAOYSA-M
SMILES:
CCCCOC(=O)[C@@H](NC(=O)C(C(F)(F)F)(F)F)CC(=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.071g/mol
Formal Charge:
-1
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
334.219g/mol
Monoisotopic Mass:
334.071g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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