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114389-27-4 | 2-Propen-1-one, 1-(4-ethoxy-2-hydroxy-5-methoxyphenyl)-3-phenyl-
CAS No: 114389-27-4 Catalog No: AG000B7T MDL No:
Product Description
Catalog Number:
AG000B7T
Chemical Name:
2-Propen-1-one, 1-(4-ethoxy-2-hydroxy-5-methoxyphenyl)-3-phenyl-
CAS Number:
114389-27-4
Molecular Formula:
C18H18O4
Molecular Weight:
298.3331
IUPAC Name:
1-(4-ethoxy-2-hydroxy-5-methoxyphenyl)-3-phenylprop-2-en-1-one
InChI:
InChI=1S/C18H18O4/c1-3-22-18-12-16(20)14(11-17(18)21-2)15(19)10-9-13-7-5-4-6-8-13/h4-12,20H,3H2,1-2H3
InChI Key:
WGPZWUSYDGRKDP-UHFFFAOYSA-N
SMILES:
CCOc1cc(O)c(cc1OC)C(=O)C=Cc1ccccc1
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.338g/mol
Monoisotopic Mass:
298.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.2
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