Cas no 159305-11-0 (1-(3-methyl-1H-indazol-1-yl)-Ethanone)
159305-11-0 structure
Product Name:1-(3-methyl-1H-indazol-1-yl)-Ethanone
CAS No:159305-11-0
MF:C10H10N2O
MW:174.199202060699
CID:1107045
PubChem ID:12639186
Update Time:2025-04-20
1-(3-methyl-1H-indazol-1-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
-
- 1-(3-methyl-1H-indazol-1-yl)-Ethanone
- 1-(3-methyl-1H-indazol-1-yl)Ethanone
- 1-(3-methyl-indazol-1-yl)-ethanone
- 1-Acetyl-3-methyl-1H-indazol
- 1-acetyl-3-methyl-1H-indazole
- 1-Acetyl-3-methyl-indazol
- SCHEMBL726679
- 159305-11-0
- DA-09740
- 1-acetyl-3-methylindazole
- PPNQRXQVQQPRRV-UHFFFAOYSA-N
-
- Inchi： 1S/C10H10N2O/c1-7-9-5-3-4-6-10(9)12(11-7)8(2)13/h3-6H,1-2H3
- InChI Key： PPNQRXQVQQPRRV-UHFFFAOYSA-N
- SMILES： O=C(C)N1C2C=CC=CC=2C(C)=N1
Computed Properties
- Exact Mass: 174.07900
- Monoisotopic Mass: 174.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 217
- 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: 1.9
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- PSA: 34.89000
- LogP: 2.00480
1-(3-methyl-1H-indazol-1-yl)-Ethanone 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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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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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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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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