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113866-89-0 | 1-Propanone, 1-(2,4-dihydroxyphenyl)-3-[2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl]-
CAS No: 113866-89-0 Catalog No: AG0009Y2 MDL No:
Product Description
Catalog Number:
AG0009Y2
Chemical Name:
1-Propanone, 1-(2,4-dihydroxyphenyl)-3-[2-[(2E)-3,7-dimethyl-2,6-octadien-1-yl]-3,4-dihydroxyphenyl]-
CAS Number:
113866-89-0
Molecular Formula:
C25H30O5
Molecular Weight:
410.5027
IUPAC Name:
1-(2,4-dihydroxyphenyl)-3-[6-(3,7-dimethylocta-2,6-dienyl)-4,5-dihydroxycyclohexa-2,4-dien-1-yl]prop-2-en-1-one
InChI:
InChI=1S/C25H30O5/c1-16(2)5-4-6-17(3)7-11-20-18(9-14-23(28)25(20)30)8-13-22(27)21-12-10-19(26)15-24(21)29/h5,7-10,12-15,18,20,26,28-30H,4,6,11H2,1-3H3
InChI Key:
OKNNTEFIJOLYIM-UHFFFAOYSA-N
SMILES:
C/C(=C\Cc1c(CCC(=O)c2ccc(cc2O)O)ccc(c1O)O)/CCC=C(C)C
Properties
Complexity:
752
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.209g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
410.51g/mol
Monoisotopic Mass:
410.209g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
2
XLogP3:
5.9
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