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1414943-60-4 | Phenylalanine, N-(4-methoxyphenyl)-β-oxo-, ethyl ester
CAS No: 1414943-60-4 Catalog No: AG001GHH MDL No:
Product Description
Catalog Number:
AG001GHH
Chemical Name:
Phenylalanine, N-(4-methoxyphenyl)-β-oxo-, ethyl ester
CAS Number:
1414943-60-4
Molecular Formula:
C18H19NO4
Molecular Weight:
313.3478
IUPAC Name:
ethyl 2-(4-methoxyanilino)-3-oxo-3-phenylpropanoate
InChI:
InChI=1S/C18H19NO4/c1-3-23-18(21)16(17(20)13-7-5-4-6-8-13)19-14-9-11-15(22-2)12-10-14/h4-12,16,19H,3H2,1-2H3
InChI Key:
DGWNBMFTIRTHNJ-UHFFFAOYSA-N
SMILES:
CCOC(=O)[C@H](C(=O)c1ccccc1)Nc1ccc(cc1)OC
Properties
Complexity:
385
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.353g/mol
Monoisotopic Mass:
313.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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