Cas no 172604-85-2 (2(1H)-Quinolinone, 3-hydroxy-1-methyl-4-(2-propenyl)- (9CI))
172604-85-2 structure
Product Name:2(1H)-Quinolinone, 3-hydroxy-1-methyl-4-(2-propenyl)- (9CI)
CAS No:172604-85-2
MF:C13H13NO2
MW:215.247823476791
CID:111527
PubChem ID:15208697
Update Time:2025-04-18
2(1H)-Quinolinone, 3-hydroxy-1-methyl-4-(2-propenyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 2(1H)-Quinolinone, 3-hydroxy-1-methyl-4-(2-propenyl)- (9CI)
- 2(1H)-Quinolinone,3-hydroxy-1-methyl-4-(2-propen-1-yl)-
- 4-Allyl-3-hydroxy-1-methyl-2(1H)-quinolinone
- 3-hydroxy-1-methyl-4-prop-2-enylquinolin-2-one
- 172604-85-2
-
- Inchi： 1S/C13H13NO2/c1-3-6-10-9-7-4-5-8-11(9)14(2)13(16)12(10)15/h3-5,7-8,15H,1,6H2,2H3
- InChI Key： SKUBNNJEWFZDBO-UHFFFAOYSA-N
- SMILES： OC1C(N(C)C2C=CC=CC=2C=1CC=C)=O
Computed Properties
- Exact Mass: 215.09469
- Monoisotopic Mass: 215.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 346
- 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
- Topological Polar Surface Area: 40.5?2
Experimental Properties
- PSA: 40.54
2(1H)-Quinolinone, 3-hydroxy-1-methyl-4-(2-propenyl)- (9CI) Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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