Cas no 4964-40-3 (1-(Propan-2-yl)cinnolin-4(1H)-one)
4964-40-3 structure
Product Name:1-(Propan-2-yl)cinnolin-4(1H)-one
CAS No:4964-40-3
MF:C11H12N2O
MW:188.225782394409
CID:2829039
PubChem ID:15595646
Update Time:2025-04-21
1-(Propan-2-yl)cinnolin-4(1H)-one Chemical and Physical Properties
Names and Identifiers
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- DTXSID80575408
- 4964-40-3
- 1-Isopropylcinnolin-4(1H)-one
- 1-(Propan-2-yl)cinnolin-4(1H)-one
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- Inchi： 1S/C11H12N2O/c1-8(2)13-10-6-4-3-5-9(10)11(14)7-12-13/h3-8H,1-2H3
- InChI Key： BLOKJUQJAPZYOU-UHFFFAOYSA-N
- SMILES： O=C1C=NN(C2C=CC=CC=21)C(C)C
Computed Properties
- Exact Mass: 188.094963011g/mol
- Monoisotopic Mass: 188.094963011g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 260
- 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: 2.2
- Topological Polar Surface Area: 32.7?2
1-(Propan-2-yl)cinnolin-4(1H)-one Related Literature
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
4964-40-3 (1-(Propan-2-yl)cinnolin-4(1H)-one) Related Products
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