Cas no 6866-87-1 (1,6-dihydroxy-3-methylanthraquinone)
6866-87-1 structure
Product Name:1,6-dihydroxy-3-methylanthraquinone
CAS No:6866-87-1
MF:C15H10O4
MW:254.237504482269
CID:1735066
PubChem ID:12314177
Update Time:2025-04-21
1,6-dihydroxy-3-methylanthraquinone Chemical and Physical Properties
Names and Identifiers
-
- 1,6-dihydroxy-3-methylanthraquinone
- 3-methyl-1,6-dihydroxy-anthraquinone
- 3-METHYL-1,6-BIS(OXIDANYL)ANTHRACENE-9,10-DIONE
- P8SXQ8DG6J
- 9,10-Anthracenedione, 1,6-dihydroxy-3-methyl-
- CHEBI:174349
- 1,6-Dihydroxy-3-methyl-9,10-anthracenedione, 9CI
- Digitoemodin
- 6866-87-1
- Anthraquinone, 1,6-dihydroxy-3-methyl-
- Phomarin
- SCHEMBL2455238
- DTXSID601260847
- 1,6-Dihydroxy-3-methyl-9,10-anthracenedione
- 1,6-DIHYDROXY-3-METHYLANTHRACENE-9,10-DIONE
- Digitemodin
-
- Inchi： 1S/C15H10O4/c1-7-4-11-13(12(17)5-7)15(19)9-3-2-8(16)6-10(9)14(11)18/h2-6,16-17H,1H3
- InChI Key： CABAPJGWBVFEQH-UHFFFAOYSA-N
- SMILES： OC1=CC(C)=CC2C(C3C=C(C=CC=3C(C=21)=O)O)=O
Computed Properties
- Exact Mass: 254.0579
- Monoisotopic Mass: 254.05790880g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 0
- Complexity: 405
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 74.6?2
Experimental Properties
- PSA: 74.6
1,6-dihydroxy-3-methylanthraquinone Related Literature
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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