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88661-97-6 | Ethanone, 1-[3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl]-
CAS No: 88661-97-6 Catalog No: AG0048KW MDL No:
Product Description
Catalog Number:
AG0048KW
Chemical Name:
Ethanone, 1-[3-(3,7-dimethyl-2,6-octadienyl)-2,4-dihydroxyphenyl]-
CAS Number:
88661-97-6
Molecular Formula:
C18H24O3
Molecular Weight:
288.3814
IUPAC Name:
1-[3-(3,7-dimethylocta-2,6-dienyl)-2,4-dihydroxyphenyl]ethanone
InChI:
InChI=1S/C18H24O3/c1-12(2)6-5-7-13(3)8-9-16-17(20)11-10-15(14(4)19)18(16)21/h6,8,10-11,20-21H,5,7,9H2,1-4H3
InChI Key:
DVENDEYQIGPXSB-UHFFFAOYSA-N
SMILES:
CC(=CCc1c(O)ccc(c1O)C(=O)C)CCC=C(C)C
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.173g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
288.387g/mol
Monoisotopic Mass:
288.173g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.2
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