Cas no 111054-15-0 (8-methyl-4(1H)-Cinnolinone)
8-methyl-4(1H)-Cinnolinone structure
Product Name:8-methyl-4(1H)-Cinnolinone
CAS No:111054-15-0
MF:C9H8N2O
MW:160.17262172699
CID:1098945
PubChem ID:13740561
Update Time:2025-04-20
8-methyl-4(1H)-Cinnolinone Chemical and Physical Properties
Names and Identifiers
-
- 8-methyl-4(1H)-Cinnolinone
- 8-methyl-1H-cinnolin-4-one
- SCHEMBL24507572
- SCHEMBL22557543
- 111054-15-0
-
- Inchi： 1S/C9H8N2O/c1-6-3-2-4-7-8(12)5-10-11-9(6)7/h2-5H,1H3,(H,11,12)
- InChI Key： HPVCIMPQPYHDPM-UHFFFAOYSA-N
- SMILES： O=C1C=NNC2C(C)=CC=CC=21
Computed Properties
- Exact Mass: 160.063662883g/mol
- Monoisotopic Mass: 160.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 225
- 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: 41.5?2
8-methyl-4(1H)-Cinnolinone Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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