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1776-33-6 | 2-Propen-1-one, 3-(diethylamino)-1-(2-hydroxyphenyl)-
CAS No: 1776-33-6 Catalog No: AG0025F1 MDL No:
Product Description
Catalog Number:
AG0025F1
Chemical Name:
2-Propen-1-one, 3-(diethylamino)-1-(2-hydroxyphenyl)-
CAS Number:
1776-33-6
Molecular Formula:
C13H17NO2
Molecular Weight:
219.2796
IUPAC Name:
(E)-3-(diethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one
InChI:
InChI=1S/C13H17NO2/c1-3-14(4-2)10-9-13(16)11-7-5-6-8-12(11)15/h5-10,15H,3-4H2,1-2H3/b10-9+
InChI Key:
QXYMFGIARLJINM-MDZDMXLPSA-N
SMILES:
CCN(C=CC(=O)c1ccccc1O)CC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
219.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.284g/mol
Monoisotopic Mass:
219.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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