Cas no 127653-88-7 (Hexanoic acid,6-(5,6-dihydro-7-methyl-5-oxo-11H-pyrido[4,3-c][1]benzazepin-11-ylidene)-)
![Hexanoic acid,6-(5,6-dihydro-7-methyl-5-oxo-11H-pyrido[4,3-c][1]benzazepin-11-ylidene)- structure](https://ossimg.kuujia.com/scimg/128000/127653-88-7x500.png)
127653-88-7 structure
Product Name:Hexanoic acid,6-(5,6-dihydro-7-methyl-5-oxo-11H-pyrido[4,3-c][1]benzazepin-11-ylidene)-
CAS No:127653-88-7
MF:C20H20N2O3
MW:336.384405136108
CID:152327
PubChem ID:6449687
Update Time:2025-04-19
Hexanoic acid,6-(5,6-dihydro-7-methyl-5-oxo-11H-pyrido[4,3-c][1]benzazepin-11-ylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Hexanoic acid,6-(5,6-dihydro-7-methyl-5-oxo-11H-pyrido[4,3-c][1]benzazepin-11-ylidene)-
- (6E)-6-(7-methyl-5-oxo-6H-pyrido[4,3-c][1]benzazepin-11-ylidene)hexanoic acid
- 11-(5-Carboxypentylidene)-7-methyl-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one
- SCHEMBL9041693
- 6-(5,6-Dihydro-7-methyl-5-oxo-11H-pyrido(4,3-c)(1)benzapin-11-ylidene)hexanoic acid
- Hexanoic acid, 6-(5,6-dihydro-7-methyl-5-oxo-11H-pyrido(4,3-c)(1)benzapin-11-ylidene)-
- 127653-88-7
-
- Inchi： 1S/C20H20N2O3/c1-13-6-5-8-15-14(7-3-2-4-9-18(23)24)17-12-21-11-10-16(17)20(25)22-19(13)15/h5-8,10-12H,2-4,9H2,1H3,(H,22,25)(H,23,24)/b14-7+
- InChI Key： ZTUJCPIQNWYKHH-VGOFMYFVSA-N
- SMILES： O=C1C2C=CN=CC=2/C(=C/CCCCC(=O)O)/C2C=CC=C(C)C=2N1
Computed Properties
- Exact Mass: 336.1475
- Monoisotopic Mass: 336.14739250g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 25
- Rotatable Bond Count: 5
- Complexity: 531
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.7
- Topological Polar Surface Area: 79.3?2
Experimental Properties
- PSA: 79.29
Hexanoic acid,6-(5,6-dihydro-7-methyl-5-oxo-11H-pyrido[4,3-c][1]benzazepin-11-ylidene)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Tong Xu,Dongwei Ma,Chengbo Li,Qian Liu,Siyu Lu,Abdullah M. Asiri,Chun Yang,Xuping Sun Chem. Commun., 2020,56, 3673-3676
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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