Cas no 113525-69-2 (6-methyl-4-oxoquinolizine-1,3-dicarbonitrile)
113525-69-2 structure
Product Name:6-methyl-4-oxoquinolizine-1,3-dicarbonitrile
CAS No:113525-69-2
MF:C12H7N3O
MW:209.203481912613
CID:2611039
PubChem ID:13815319
Update Time:2025-04-21
6-methyl-4-oxoquinolizine-1,3-dicarbonitrile Chemical and Physical Properties
Names and Identifiers
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- 6-methyl-4-oxoquinolizine-1,3-dicarbonitrile
- 6-Methyl-4-oxo-4H-quinolizine-1,3-dicarbonitrile
- 113525-69-2
- DTXSID10550384
-
- Inchi： 1S/C12H7N3O/c1-8-3-2-4-11-9(6-13)5-10(7-14)12(16)15(8)11/h2-5H,1H3
- InChI Key： QNOHQNZSHMDNMP-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=CC(C#N)=C2C=CC=C(C)N21
Computed Properties
- Exact Mass: 209.058911855Da
- Monoisotopic Mass: 209.058911855Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 599
- 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: 1.1
- Topological Polar Surface Area: 67.9?2
6-methyl-4-oxoquinolizine-1,3-dicarbonitrile 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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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
113525-69-2 (6-methyl-4-oxoquinolizine-1,3-dicarbonitrile) Related Products
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