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13789-91-8 | Acetic acid, 2-[(4-ethoxyphenyl)amino]-2-oxo-, ethyl ester
CAS No: 13789-91-8 Catalog No: AG00141A MDL No:MFCD01893535
Product Description
Catalog Number:
AG00141A
Chemical Name:
Acetic acid, 2-[(4-ethoxyphenyl)amino]-2-oxo-, ethyl ester
CAS Number:
13789-91-8
Molecular Formula:
C12H15NO4
Molecular Weight:
237.2518
MDL Number:
MFCD01893535
IUPAC Name:
ethyl 2-(4-ethoxyanilino)-2-oxoacetate
InChI:
InChI=1S/C12H15NO4/c1-3-16-10-7-5-9(6-8-10)13-11(14)12(15)17-4-2/h5-8H,3-4H2,1-2H3,(H,13,14)
InChI Key:
OBCOUMMVQFTMLX-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1)NC(=O)C(=O)OCC
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.1g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.255g/mol
Monoisotopic Mass:
237.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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