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151051-89-7 | 1(4H)-Anthracenone, 5,8-dihydro-9,10-dihydroxy-4,4-dimethyl-
CAS No: 151051-89-7 Catalog No: AG001N1Y MDL No:
Product Description
Catalog Number:
AG001N1Y
Chemical Name:
1(4H)-Anthracenone, 5,8-dihydro-9,10-dihydroxy-4,4-dimethyl-
CAS Number:
151051-89-7
Molecular Formula:
C16H16O3
Molecular Weight:
256.2964
IUPAC Name:
9,10-dihydroxy-4,4-dimethyl-5,8-dihydroanthracen-1-one
InChI:
InChI=1S/C16H16O3/c1-16(2)8-7-11(17)12-13(16)15(19)10-6-4-3-5-9(10)14(12)18/h3-4,7-8,18-19H,5-6H2,1-2H3
InChI Key:
MFMOCIWZFSTGAR-UHFFFAOYSA-N
SMILES:
O=C1C=CC(c2c1c(O)c1CC=CCc1c2O)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
256.301g/mol
Monoisotopic Mass:
256.11g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
Literature
| Title | Journal |
|---|---|
| NMR assignment in regioisomeric hydroquinones. | Magnetic resonance in chemistry : MRC 20110601 |
| Antioxidant properties and free radical-scavenging reactivity of a family of hydroxynaphthalenones and dihydroxyanthracenones. | Bioorganic & medicinal chemistry 20071115 |
| Effects of 9,10-dihydroxy-4,4-dimethyl-5,8-dihydro-1(4H)-anthracenone derivatives on tumor cell respiration. | Bioorganic & medicinal chemistry 20060701 |
| In vitro sensitivity of Botrytis cinerea to anthraquinone and anthrahydroquinone derivatives. | Journal of agricultural and food chemistry 20051228 |
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