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88436-67-3 | Aspartic acid, N-(2,2,3,3,3-pentafluoro-1-oxopropyl)-, 1-propyl ester
CAS No: 88436-67-3 Catalog No: AG004HI7 MDL No:
Product Description
Catalog Number:
AG004HI7
Chemical Name:
Aspartic acid, N-(2,2,3,3,3-pentafluoro-1-oxopropyl)-, 1-propyl ester
CAS Number:
88436-67-3
Molecular Formula:
C10H11F5NO5-
Molecular Weight:
320.1901
IUPAC Name:
4-oxo-3-(2,2,3,3,3-pentafluoropropanoylamino)-4-propoxybutanoate
InChI:
InChI=1S/C10H12F5NO5/c1-2-3-21-7(19)5(4-6(17)18)16-8(20)9(11,12)10(13,14)15/h5H,2-4H2,1H3,(H,16,20)(H,17,18)/p-1
InChI Key:
BKWZLZPYUIORPB-UHFFFAOYSA-M
SMILES:
CCCOC(=O)[C@@H](NC(=O)C(C(F)(F)F)(F)F)CC(=O)[O-]
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.056g/mol
Formal Charge:
-1
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.192g/mol
Monoisotopic Mass:
320.056g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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