Cas no 6023-73-0 (6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, cis-)
6023-73-0 structure
Product Name:6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, cis-
CAS No:6023-73-0
MF:C17H23NO3
MW:289.369425058365
CID:498584
Update Time:2025-04-19
6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, cis- Chemical and Physical Properties
Names and Identifiers
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- 6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, cis-
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- Inchi： 1S/C17H23NO3/c1-18-9-8-17(7-6-13(19)11-16(17)18)12-4-5-14(20-2)15(10-12)21-3/h4-5,10,16H,6-9,11H2,1-3H3
- InChI Key： DAHIQPJTGIHDGO-UHFFFAOYSA-N
- SMILES： COC1C(OC)=CC(C23CCC(=O)CC2N(C)CC3)=CC=1
Computed Properties
- Exact Mass: 289.16789
- Monoisotopic Mass: 289.168
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 400
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 38.8A^2
Experimental Properties
- Density: 1.133
- Boiling Point: 419.2°Cat760mmHg
- Flash Point: 207.3°C
- Refractive Index: 1.548
- PSA: 38.77
6H-Indol-6-one, 3a-(3,4-dimethoxyphenyl)octahydro-1-methyl-, cis- 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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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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