Cas no 74815-59-1 (9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl-)
74815-59-1 structure
Product Name:9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl-
CAS No:74815-59-1
MF:C16H12O6
MW:300.262885093689
CID:571280
PubChem ID:189825
Update Time:2025-04-19
9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl-
- 1,4,7-trihydroxy-5-methoxy-2-methylanthracene-9,10-dione
- rubrocristin
- SCHEMBL16226946
- 74815-59-1
- DTXSID90225785
- 2-methyl-1,4,7-trihydroxy-5-methoxy-anthraquinone
-
- Inchi: 1S/C16H12O6/c1-6-3-9(18)12-13(14(6)19)15(20)8-4-7(17)5-10(22-2)11(8)16(12)21/h3-5,17-19H,1-2H3
- InChI Key: XZDDKPVQCXULQZ-UHFFFAOYSA-N
- SMILES: O(C)C1=CC(=CC2C(C3C(=C(C)C=C(C=3C(C=21)=O)O)O)=O)O
Computed Properties
- Exact Mass: 300.06336
- Monoisotopic Mass: 300.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 477
- 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
- Surface Charge: 0
- Tautomer Count: 162
- XLogP3: 3.2
- Topological Polar Surface Area: 104?2
Experimental Properties
- PSA: 104.06
9,10-Anthracenedione,1,4,7-trihydroxy-5-methoxy-2-methyl- Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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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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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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