Cas no 32013-63-1 (9,10-Anthracenedione, 2-acetyl-1,6,8-trihydroxy-3-methyl-)
32013-63-1 structure
Product Name:9,10-Anthracenedione, 2-acetyl-1,6,8-trihydroxy-3-methyl-
CAS No:32013-63-1
MF:C17H12O6
MW:312.273585319519
CID:1449161
PubChem ID:12742404
Update Time:2025-04-20
9,10-Anthracenedione, 2-acetyl-1,6,8-trihydroxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9,10-Anthracenedione, 2-acetyl-1,6,8-trihydroxy-3-methyl-
- 2-acetyl-1,6,8-trihydroxy-3-methylanthracene-9,10-dione
- DTXSID80508670
- SCHEMBL16226740
- 2-acetyl-emodin
- 32013-63-1
- NCGC00488633-01
-
- Inchi： 1S/C17H12O6/c1-6-3-9-14(16(22)12(6)7(2)18)17(23)13-10(15(9)21)4-8(19)5-11(13)20/h3-5,19-20,22H,1-2H3
- InChI Key： OJBWMXFOIJKIJP-UHFFFAOYSA-N
- SMILES： OC1=C(C(C)=O)C(C)=CC2C(C3C=C(C=C(C=3C(C=21)=O)O)O)=O
Computed Properties
- Exact Mass: 312.06336
- Monoisotopic Mass: 312.06338810g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 1
- Complexity: 543
- 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: 2.4
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 111.9
9,10-Anthracenedione, 2-acetyl-1,6,8-trihydroxy-3-methyl- Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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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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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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