Cas no 25804-78-8 (1H-2,3-Benzoxazin-4(3H)-one, 3-methyl-)
25804-78-8 structure
Product Name:1H-2,3-Benzoxazin-4(3H)-one, 3-methyl-
CAS No:25804-78-8
MF:C9H9NO2
MW:163.173262357712
CID:1427775
Update Time:2024-08-15
1H-2,3-Benzoxazin-4(3H)-one, 3-methyl- Chemical and Physical Properties
Names and Identifiers
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- 1H-2,3-Benzoxazin-4(3H)-one, 3-methyl-
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- Inchi： 1S/C9H9NO2/c1-10-9(11)8-5-3-2-4-7(8)6-12-10/h2-5H,6H2,1H3
- InChI Key： JAUNBZQUBIDOPV-UHFFFAOYSA-N
- SMILES： C1C2=CC=CC=C2C(=O)N(C)O1
Computed Properties
- Exact Mass: 163.06337
Experimental Properties
- Density: 1.209±0.06 g/cm3(Predicted)
- Boiling Point: 344.4±22.0 °C(Predicted)
- PSA: 29.54
- pka: -2.06±0.20(Predicted)
1H-2,3-Benzoxazin-4(3H)-one, 3-methyl- Related Literature
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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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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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