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856410-04-3 | Aspartic acid, 3-methylene-N-(trichloroacetyl)-, 1-ethyl 4-methyl ester
CAS No: 856410-04-3 Catalog No: AG004TN6 MDL No:
Product Description
Catalog Number:
AG004TN6
Chemical Name:
Aspartic acid, 3-methylene-N-(trichloroacetyl)-, 1-ethyl 4-methyl ester
CAS Number:
856410-04-3
Molecular Formula:
C10H12Cl3NO5
Molecular Weight:
332.5650
IUPAC Name:
1-O-ethyl 4-O-methyl (2S)-3-methylidene-2-[(2,2,2-trichloroacetyl)amino]butanedioate
InChI:
InChI=1S/C10H12Cl3NO5/c1-4-19-8(16)6(5(2)7(15)18-3)14-9(17)10(11,12)13/h6H,2,4H2,1,3H3,(H,14,17)/t6-/m0/s1
InChI Key:
TUZASXAZLWZYEW-LURJTMIESA-N
SMILES:
CCOC(=O)[C@H](C(=C)C(=O)OC)NC(=O)C(Cl)(Cl)Cl
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
330.978g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
332.558g/mol
Monoisotopic Mass:
330.978g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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