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87194-76-1 | (E)-3-(3-hydroxy-4-methoxy-phenyl)-N-[2-(3H-imidazol-4-yl)ethyl]prop-2-enamide
CAS No: 87194-76-1 Catalog No: AG004JYH MDL No:
Product Description
Catalog Number:
AG004JYH
Chemical Name:
(E)-3-(3-hydroxy-4-methoxy-phenyl)-N-[2-(3H-imidazol-4-yl)ethyl]prop-2-enamide
CAS Number:
87194-76-1
Molecular Formula:
C15H17N3O3
Molecular Weight:
287.3138
IUPAC Name:
3-(3-hydroxy-4-methoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]prop-2-enamide
InChI:
InChI=1S/C15H17N3O3/c1-21-14-4-2-11(8-13(14)19)3-5-15(20)17-7-6-12-9-16-10-18-12/h2-5,8-10,19H,6-7H2,1H3,(H,16,18)(H,17,20)
InChI Key:
WSWRSIRDNVKILE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1O)/C=C/C(=O)NCCc1cnc[nH]1
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.127g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
287.319g/mol
Monoisotopic Mass:
287.127g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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