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882854-35-5 | 2-Propen-1-one, 1-(2-aminophenyl)-3-(2,6-dimethoxyphenyl)-
CAS No: 882854-35-5 Catalog No: AG0049IE MDL No:
Product Description
Catalog Number:
AG0049IE
Chemical Name:
2-Propen-1-one, 1-(2-aminophenyl)-3-(2,6-dimethoxyphenyl)-
CAS Number:
882854-35-5
Molecular Formula:
C17H17NO3
Molecular Weight:
283.3218
IUPAC Name:
1-(2-aminophenyl)-3-(2,6-dimethoxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C17H17NO3/c1-20-16-8-5-9-17(21-2)13(16)10-11-15(19)12-6-3-4-7-14(12)18/h3-11H,18H2,1-2H3
InChI Key:
GAMUGZLKMAMVBK-UHFFFAOYSA-N
SMILES:
COc1cccc(c1C=CC(=O)c1ccccc1N)OC
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.121g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.327g/mol
Monoisotopic Mass:
283.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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