Cas no 119408-32-1 (1H-Phenalen-1-one,3,9-dihydroxy-2-(phenylmethyl)-)
119408-32-1 structure
Product Name:1H-Phenalen-1-one,3,9-dihydroxy-2-(phenylmethyl)-
CAS No:119408-32-1
MF:C20H13O3
MW:301.315425634384
CID:193769
PubChem ID:44160693
Update Time:2025-04-19
1H-Phenalen-1-one,3,9-dihydroxy-2-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Phenalen-1-one,3,9-dihydroxy-2-(phenylmethyl)-
- 2-Benzyl-3,9-dihydroxy-1-phenalenon
- DTXSID40922954
- 8-Benzyl-9-hydroxy-1-oxo-1H-phenalen-7-olate
- 119408-32-1
-
- Inchi： 1S/C20H14O3/c21-16-10-9-13-7-4-8-14-17(13)18(16)20(23)15(19(14)22)11-12-5-2-1-3-6-12/h1-10,22-23H,11H2/p-1
- InChI Key： VFBPJBYJWFKFEN-UHFFFAOYSA-M
- SMILES： OC1C(CC2C=CC=CC=2)=C(C2C=CC=C3C=CC(C=1C=23)=O)[O-]
Computed Properties
- Exact Mass: 302.09432
- Monoisotopic Mass: 302.094
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 479
- 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: 5.6
- Topological Polar Surface Area: 60.4?2
Experimental Properties
- Density: 1.382
- Boiling Point: 572.7°Cat760mmHg
- Flash Point: 314.2°C
- Refractive Index: 1.749
- PSA: 57.53
1H-Phenalen-1-one,3,9-dihydroxy-2-(phenylmethyl)- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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