Cas no 153705-15-8 (1H-Azepine-3-carboxaldehyde, 6,7-dihydro-1-methyl-6-oxo- (9CI))
153705-15-8 structure
Product Name:1H-Azepine-3-carboxaldehyde, 6,7-dihydro-1-methyl-6-oxo- (9CI)
CAS No:153705-15-8
MF:C8H9NO2
MW:151.162562131882
CID:106290
Update Time:2024-01-24
1H-Azepine-3-carboxaldehyde, 6,7-dihydro-1-methyl-6-oxo- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1H-Azepine-3-carboxaldehyde, 6,7-dihydro-1-methyl-6-oxo- (9CI)
- 1H-Azepine-3-carboxaldehyde,6,7-dihydro-1-methyl-6-oxo-
- 1H-Azepine-3-carboxaldehyde, 6,7-dihydro-1-methyl-6-oxo-
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- Inchi： 1S/C8H9NO2/c1-9-4-7(6-10)2-3-8(11)5-9/h2-4,6H,5H2,1H3
- InChI Key： SXXYXNYIQUUARR-UHFFFAOYSA-N
- SMILES： N1(C)CC(=O)C=CC(C=O)=C1
Computed Properties
- Exact Mass: 151.06337
- Monoisotopic Mass: 151.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 241
- 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
- Topological Polar Surface Area: 37.4A^2
Experimental Properties
- PSA: 37.38
1H-Azepine-3-carboxaldehyde, 6,7-dihydro-1-methyl-6-oxo- (9CI) Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
153705-15-8 (1H-Azepine-3-carboxaldehyde, 6,7-dihydro-1-methyl-6-oxo- (9CI)) Related Products
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