Cas no 89770-37-6 (Ethanone, 1-(3-cinnolinyl)-)
Ethanone, 1-(3-cinnolinyl)- structure
Product Name:Ethanone, 1-(3-cinnolinyl)-
CAS No:89770-37-6
MF:C10H8N2O
MW:172.18332195282
CID:589541
PubChem ID:23273654
Update Time:2025-04-19
Ethanone, 1-(3-cinnolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-(3-cinnolinyl)-
- 1-cinnolin-3-ylethanone
- 89770-37-6
- 1-(Cinnolin-3-yl)ethan-1-one
- DTXSID90632213
- 1-(cinnolin-3-yl)ethanone
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- Inchi： 1S/C10H8N2O/c1-7(13)10-6-8-4-2-3-5-9(8)11-12-10/h2-6H,1H3
- InChI Key： WEVSAQABATXHJN-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CC2C=CC=CC=2N=N1
Computed Properties
- Exact Mass: 172.063662883g/mol
- Monoisotopic Mass: 172.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 205
- 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: 1.4
- Topological Polar Surface Area: 42.8?2
Ethanone, 1-(3-cinnolinyl)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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