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84522-11-2 | Propanoic acid,3-[(4-methoxyphenyl)amino]-3-oxo-, methyl ester
CAS No: 84522-11-2 Catalog No: AG004VQD MDL No:
Product Description
Catalog Number:
AG004VQD
Chemical Name:
Propanoic acid,3-[(4-methoxyphenyl)amino]-3-oxo-, methyl ester
CAS Number:
84522-11-2
Molecular Formula:
C11H13NO4
Molecular Weight:
223.2252
IUPAC Name:
methyl 3-(4-methoxyanilino)-3-oxopropanoate
InChI:
InChI=1S/C11H13NO4/c1-15-9-5-3-8(4-6-9)12-10(13)7-11(14)16-2/h3-6H,7H2,1-2H3,(H,12,13)
InChI Key:
OYECIKAJRJDBLD-UHFFFAOYSA-N
SMILES:
COC(=O)CC(=O)Nc1ccc(cc1)OC
EC Number:
283-006-8
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
223.228g/mol
Monoisotopic Mass:
223.084g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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