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88631-34-9 | L-Aspartic acid, N-(trifluoroacetyl)-, 4-ethyl 1-methyl ester
CAS No: 88631-34-9 Catalog No: AG004BQ0 MDL No:
Product Description
Catalog Number:
AG004BQ0
Chemical Name:
L-Aspartic acid, N-(trifluoroacetyl)-, 4-ethyl 1-methyl ester
CAS Number:
88631-34-9
Molecular Formula:
C9H12F3NO5
Molecular Weight:
271.1905
IUPAC Name:
4-O-ethyl 1-O-methyl 2-[(2,2,2-trifluoroacetyl)amino]butanedioate
InChI:
InChI=1S/C9H12F3NO5/c1-3-18-6(14)4-5(7(15)17-2)13-8(16)9(10,11)12/h5H,3-4H2,1-2H3,(H,13,16)
InChI Key:
AANTTXWQTKHFNG-UHFFFAOYSA-N
SMILES:
CCOC(=O)C[C@@H](C(=O)OC)NC(=O)C(F)(F)F
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.192g/mol
Monoisotopic Mass:
271.067g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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