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1202-41-1 | 2-Propenamide, 3-(3,4-dihydroxyphenyl)-
CAS No: 1202-41-1 Catalog No: AG000QK1 MDL No:MFCD19441045
Product Description
Catalog Number:
AG000QK1
Chemical Name:
2-Propenamide, 3-(3,4-dihydroxyphenyl)-
CAS Number:
1202-41-1
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD19441045
IUPAC Name:
(E)-3-(3,4-dihydroxyphenyl)prop-2-enamide
InChI:
InChI=1S/C9H9NO3/c10-9(13)4-2-6-1-3-7(11)8(12)5-6/h1-5,11-12H,(H2,10,13)/b4-2+
InChI Key:
ZINBYEVHNDIYBV-DUXPYHPUSA-N
SMILES:
NC(=O)C=Cc1ccc(c(c1)O)O
UNII:
WW58J8PI03
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
179.058g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
179.175g/mol
Monoisotopic Mass:
179.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
Literature
| Title | Journal |
|---|---|
| Synthesis and evaluation of caffeic acid amides as antioxidants. | Bioorganic & medicinal chemistry letters 20010122 |
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