Cas no 61234-51-3 (9H-Xanthen-9-one, 3,7-bis(acetyloxy)-2-methyl-)
61234-51-3 structure
Product Name:9H-Xanthen-9-one, 3,7-bis(acetyloxy)-2-methyl-
CAS No:61234-51-3
MF:C18H14O6
MW:326.300165653229
CID:487520
PubChem ID:71397934
Update Time:2025-04-19
9H-Xanthen-9-one, 3,7-bis(acetyloxy)-2-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one, 3,7-bis(acetyloxy)-2-methyl-
- (6-acetyloxy-7-methyl-9-oxoxanthen-2-yl) acetate
- DTXSID20819393
- 7-Methyl-9-oxo-9H-xanthene-2,6-diyl diacetate
- 61234-51-3
-
- Inchi： 1S/C18H14O6/c1-9-6-13-17(8-16(9)23-11(3)20)24-15-5-4-12(22-10(2)19)7-14(15)18(13)21/h4-8H,1-3H3
- InChI Key： XJNSAOFSIXWXHL-UHFFFAOYSA-N
- SMILES： O1C2C=CC(=CC=2C(C2C=C(C)C(=CC1=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, 3,7-bis(acetyloxy)-2-methyl- Related Literature
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
61234-51-3 (9H-Xanthen-9-one, 3,7-bis(acetyloxy)-2-methyl-) Related Products
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