Cas no 116518-76-4 (1,2-Benzenediol,4-[2-(3,4,5-trimethoxyphenyl)ethyl]-)
![1,2-Benzenediol,4-[2-(3,4,5-trimethoxyphenyl)ethyl]- structure](https://ossimg.kuujia.com/scimg/117000/116518-76-4x500.png)
116518-76-4 structure
Product Name:1,2-Benzenediol,4-[2-(3,4,5-trimethoxyphenyl)ethyl]-
CAS No:116518-76-4
MF:C17H20O5
MW:304.337705612183
CID:189811
PubChem ID:122775
Update Time:2025-04-19
1,2-Benzenediol,4-[2-(3,4,5-trimethoxyphenyl)ethyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol,4-[2-(3,4,5-trimethoxyphenyl)ethyl]-
- 4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol
- combretastatin B-3
- 1,2-Benzenediol, 4-(2-(3,4,5-trimethoxyphenyl)ethyl)-
- Combretastatin B3
- 116518-76-4
- DTXSID10151416
- CHEMBL485822
-
- Inchi： 1S/C17H20O5/c1-20-15-9-12(10-16(21-2)17(15)22-3)5-4-11-6-7-13(18)14(19)8-11/h6-10,18-19H,4-5H2,1-3H3
- InChI Key： SFWXNQDSPCKFAW-UHFFFAOYSA-N
- SMILES： COC1C(OC)=C(OC)C=C(CCC2C=C(O)C(O)=CC=2)C=1
Computed Properties
- Exact Mass: 304.1311
- Monoisotopic Mass: 304.131
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 310
- 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: 3.3
- Topological Polar Surface Area: 68.2?2
Experimental Properties
- Density: 1.208
- Boiling Point: 453.6°Cat760mmHg
- Flash Point: 228.1°C
- Refractive Index: 1.582
- PSA: 68.15
1,2-Benzenediol,4-[2-(3,4,5-trimethoxyphenyl)ethyl]- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
116518-76-4 (1,2-Benzenediol,4-[2-(3,4,5-trimethoxyphenyl)ethyl]-) Related Products
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