Cas no 102719-96-0 (Dibenz[cd,f]indol-4(5H)-one,2-hydroxy-1,7-dimethoxy-)
![Dibenz[cd,f]indol-4(5H)-one,2-hydroxy-1,7-dimethoxy- structure](https://ossimg.kuujia.com/scimg/103000/102719-96-0x500.png)
102719-96-0 structure
Product Name:Dibenz[cd,f]indol-4(5H)-one,2-hydroxy-1,7-dimethoxy-
CAS No:102719-96-0
MF:C17H13NO4
MW:295.289424657822
CID:191549
Update Time:2024-03-01
Dibenz[cd,f]indol-4(5H)-one,2-hydroxy-1,7-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Dibenz[cd,f]indol-4(5H)-one,2-hydroxy-1,7-dimethoxy-
- EnterocarpamII
- Dibenz[cd,f]indol-4(5H)-one, 2-hydroxy-1,7-dimethoxy-
-
- Inchi： 1S/C17H13NO4/c1-21-13-5-3-4-8-9(13)6-11-14-10(17(20)18-11)7-12(19)16(22-2)15(8)14/h3-7,19H,1-2H3,(H,18,20)
- InChI Key： MUOAEJRXSNBJIC-UHFFFAOYSA-N
- SMILES： N1C2=C3C(C(OC)=C(O)C=C3C1=O)=C1C=CC=C(OC)C1=C2
Computed Properties
- Exact Mass: 295.084458g/mol
- Monoisotopic Mass: 295.084458g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 22
- Rotatable Bond Count: 2
- Complexity: 456
- 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
- Molecular Weight: 295.29g/mol
- XLogP3: 2.9
- Topological Polar Surface Area: 67.8?2
Experimental Properties
- Density: 1.419±0.06 g/cm3(Predicted)
- Boiling Point: 490.5±45.0 °C(Predicted)
- pka: 8.60±0.20(Predicted)
Dibenz[cd,f]indol-4(5H)-one,2-hydroxy-1,7-dimethoxy- Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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