Cas no 855754-09-5 (Cinchoninonitrile, 3-methoxy-2-methyl- (4CI))
855754-09-5 structure
Product Name:Cinchoninonitrile, 3-methoxy-2-methyl- (4CI)
CAS No:855754-09-5
MF:C12H10N2O
MW:198.22060251236
CID:990683
PubChem ID:57354656
Update Time:2025-04-20
Cinchoninonitrile, 3-methoxy-2-methyl- (4CI) Chemical and Physical Properties
Names and Identifiers
-
- Cinchoninonitrile, 3-methoxy-2-methyl- (4CI)
- 3-methoxy-2-methylquinoline-4-carbonitrile
- DTXSID90722709
- 855754-09-5
- 3-Methoxy-2-methyl-4-quinolinecarbonitrile
- DB-218109
-
- Inchi: 1S/C12H10N2O/c1-8-12(15-2)10(7-13)9-5-3-4-6-11(9)14-8/h3-6H,1-2H3
- InChI Key: VUFQZDRZUGCUGW-UHFFFAOYSA-N
- SMILES: O(C)C1=C(C)N=C2C=CC=CC2=C1C#N
Computed Properties
- Exact Mass: 198.079312947g/mol
- Monoisotopic Mass: 198.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 270
- 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: 2.3
- Topological Polar Surface Area: 45.9?2
Cinchoninonitrile, 3-methoxy-2-methyl- (4CI) Related Literature
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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