Cas no 3343-37-1 (1,4-Naphthalenedione,2-(3,7-dimethyloctyl)-3-hydroxy-)
3343-37-1 structure
Product Name:1,4-Naphthalenedione,2-(3,7-dimethyloctyl)-3-hydroxy-
CAS No:3343-37-1
MF:C20H26O3
MW:314.418646335602
CID:322656
PubChem ID:283694
Update Time:2025-04-19
1,4-Naphthalenedione,2-(3,7-dimethyloctyl)-3-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-(3,7-dimethyloctyl)-3-hydroxy-
- 2-(3,7-Dimethyl-octyl)-3-hydroxy-[1,4]naphthochinon
- 2-(3,7-dimethyl-octyl)-3-hydroxy-[1,4]naphthoquinone
- AC1L5Z70
- AC1Q6HX3
- AG-K-13499
- AR-1E6544
- CTK4H0577
- NSC138685
- SureCN7149579
- 2-hydroxy 3-(3',7'-dimethyloctyl)-1,4-naphthoquinone
- DTXSID80300757
- SCHEMBL7149579
- 3-(3,7-dimethyloctyl)-4-hydroxynaphthalene-1,2-dione
- NSC-138685
- 3343-37-1
-
- Inchi： 1S/C20H26O3/c1-13(2)7-6-8-14(3)11-12-17-18(21)15-9-4-5-10-16(15)19(22)20(17)23/h4-5,9-10,13-14,21H,6-8,11-12H2,1-3H3
- InChI Key： GFCHWTMLPIXTQO-UHFFFAOYSA-N
- SMILES： OC1C2C=CC=CC=2C(C(C=1CCC(C)CCCC(C)C)=O)=O
Computed Properties
- Exact Mass: 314.18828
- Monoisotopic Mass: 314.188
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 23
- Rotatable Bond Count: 7
- Complexity: 475
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.4
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- Density: 1.099
- Boiling Point: 447.8°Cat760mmHg
- Flash Point: 238.7°C
- Refractive Index: 1.547
- PSA: 54.37
- LogP: 5.12030
1,4-Naphthalenedione,2-(3,7-dimethyloctyl)-3-hydroxy- Related Literature
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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