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189325-47-1 | 1,4-Pentadien-3-one, 1,5-bis[4-hydroxy-3-(2-propen-1-yl)phenyl]-
CAS No: 189325-47-1 Catalog No: AG002IAH MDL No:
Product Description
Catalog Number:
AG002IAH
Chemical Name:
1,4-Pentadien-3-one, 1,5-bis[4-hydroxy-3-(2-propen-1-yl)phenyl]-
CAS Number:
189325-47-1
Molecular Formula:
C23H22O3
Molecular Weight:
346.4190
IUPAC Name:
1,5-bis(4-hydroxy-3-prop-2-enylphenyl)penta-1,4-dien-3-one
InChI:
InChI=1S/C23H22O3/c1-3-5-19-15-17(9-13-22(19)25)7-11-21(24)12-8-18-10-14-23(26)20(16-18)6-4-2/h3-4,7-16,25-26H,1-2,5-6H2
InChI Key:
VXIDTGMWZXXZHP-UHFFFAOYSA-N
SMILES:
C=CCc1cc(C=CC(=O)C=Cc2ccc(c(c2)CC=C)O)ccc1O
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.157g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.426g/mol
Monoisotopic Mass:
346.157g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
5.5
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