Cas no 61234-49-9 (9H-Xanthen-9-one, 2,6-bis(acetyloxy)-5-methyl-)
61234-49-9 structure
Product Name:9H-Xanthen-9-one, 2,6-bis(acetyloxy)-5-methyl-
CAS No:61234-49-9
MF:C18H14O6
MW:326.300165653229
CID:487522
PubChem ID:71397936
Update Time:2025-04-19
9H-Xanthen-9-one, 2,6-bis(acetyloxy)-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one, 2,6-bis(acetyloxy)-5-methyl-
- (6-acetyloxy-5-methyl-9-oxoxanthen-2-yl) acetate
- 5-Methyl-9-oxo-9H-xanthene-2,6-diyl diacetate
- DTXSID40819395
- 61234-49-9
-
- Inchi： 1S/C18H14O6/c1-9-15(23-11(3)20)7-5-13-17(21)14-8-12(22-10(2)19)4-6-16(14)24-18(9)13/h4-8H,1-3H3
- InChI Key： JDSCRBBZLJIYSE-UHFFFAOYSA-N
- SMILES： O1C2C=CC(=CC=2C(C2C=CC(=C(C)C1=2)OC(C)=O)=O)OC(C)=O
Computed Properties
- Exact Mass: 326.07902
- Monoisotopic Mass: 326.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 530
- 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: 2.8
- Topological Polar Surface Area: 78.9?2
Experimental Properties
- PSA: 78.9
9H-Xanthen-9-one, 2,6-bis(acetyloxy)-5-methyl- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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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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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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