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89406-16-6 | 2-Propen-1-one,3-(4-hydroxy-3-methoxyphenyl)-1-phenyl-
CAS No: 89406-16-6 Catalog No: AG003VSU MDL No:
Product Description
Catalog Number:
AG003VSU
Chemical Name:
2-Propen-1-one,3-(4-hydroxy-3-methoxyphenyl)-1-phenyl-
CAS Number:
89406-16-6
Molecular Formula:
C16H14O3
Molecular Weight:
254.2806
IUPAC Name:
3-(4-hydroxy-3-methoxyphenyl)-1-phenylprop-2-en-1-one
InChI:
InChI=1S/C16H14O3/c1-19-16-11-12(8-10-15(16)18)7-9-14(17)13-5-3-2-4-6-13/h2-11,18H,1H3
InChI Key:
SFDANOZEVFTUOG-UHFFFAOYSA-N
SMILES:
COc1cc(C=CC(=O)c2ccccc2)ccc1O
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.094g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.285g/mol
Monoisotopic Mass:
254.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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