Cas no 125769-47-3 (9H-Xanthen-9-one,2-acetyl-7-(2-hydroxyacetyl)-)
125769-47-3 structure
Product Name:9H-Xanthen-9-one,2-acetyl-7-(2-hydroxyacetyl)-
CAS No:125769-47-3
MF:C17H12O5
MW:296.274185180664
CID:176351
PubChem ID:130538
Update Time:2025-04-19
9H-Xanthen-9-one,2-acetyl-7-(2-hydroxyacetyl)- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Xanthen-9-one,2-acetyl-7-(2-hydroxyacetyl)-
- 2-hydroxyacetyl-7-acetylxanthone
- 7-acetyl-1-(2-hydroxyacetyl)xanthen-9-one
- 2-Acetyl-7-(hydroxyacetyl)-9H-xanthen-9-one
- 9H-Xanthen-9-one, 2-acetyl-7-(hydroxyacetyl)-
- DTXSID00925264
- 125769-47-3
- 2-acetyl-7-(2-hydroxyacetyl)xanthen-9-one
- 2-Hydroxyacetyl-7-acetyl-xanthone
- 2-hydroxyacetyl-7-acetyl-9H-xanthen-9-one
-
- Inchi： 1S/C17H12O5/c1-9(19)10-2-4-15-12(6-10)17(21)13-7-11(14(20)8-18)3-5-16(13)22-15/h2-7,18H,8H2,1H3
- InChI Key： QLBNFGXELMSQPL-UHFFFAOYSA-N
- SMILES： O1C2C=CC(C(C)=O)=CC=2C(C2C=C(C(CO)=O)C=CC1=2)=O
Computed Properties
- Exact Mass: 296.06846
- Monoisotopic Mass: 296.068
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 485
- 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: 1.7
- Topological Polar Surface Area: 80.7?2
Experimental Properties
- Density: 1.383
- Boiling Point: 540.7°Cat760mmHg
- Flash Point: 204.8°C
- Refractive Index: 1.639
- PSA: 80.67
- LogP: 2.32380
9H-Xanthen-9-one,2-acetyl-7-(2-hydroxyacetyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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