Free Chemical Databases
-
[Synonyms]
NSC190352
ST5439985
2345-06-4
[Structure]
[ Properties Computed from Structure]
Molecular Weight 207.26888 [g/mol] Molecular Formula C12H17NO2 XLogP 2.5 H-Bond Donor 1 H-Bond Acceptor 3 Rotatable Bond Count 5 Exact Mass 207.125929 MonoIsotopic Mass 207.125929 Topological Polar Surface Area 38.3 Heavy Atom Count 15 Formal Charge 0 Complexity 206 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: ethyl 2-[(2,3-dimethylphenyl)amino]acetate
Canonical SMILES: CCOC(=O)CNC1=CC=CC(=C1C)C
InChI: InChI=1/C12H17NO2/c1-4-15-12(14)8-13-11-7-5-6-9(2)10(11)3/h5-7,13H,4,
8H2,1-3H3
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