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88435-83-0 | Aspartic acid, N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, 1-ethyl ester
CAS No: 88435-83-0 Catalog No: AG004HMF MDL No:
Product Description
Catalog Number:
AG004HMF
Chemical Name:
Aspartic acid, N-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, 1-ethyl ester
CAS Number:
88435-83-0
Molecular Formula:
C10H9F7NO5-
Molecular Weight:
356.1710
IUPAC Name:
4-ethoxy-3-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-oxobutanoate
InChI:
InChI=1S/C10H10F7NO5/c1-2-23-6(21)4(3-5(19)20)18-7(22)8(11,12)9(13,14)10(15,16)17/h4H,2-3H2,1H3,(H,18,22)(H,19,20)/p-1
InChI Key:
GAHLLWWTAWUXEK-UHFFFAOYSA-M
SMILES:
CCOC(=O)[C@H](CC(=O)[O-])NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.037g/mol
Formal Charge:
-1
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
356.173g/mol
Monoisotopic Mass:
356.037g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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