Cas no 52802-64-9 (1,3-Azulenedicarboxylic acid, 6-bromo-2-hydroxy-, diethyl ester)
52802-64-9 structure
Product Name:1,3-Azulenedicarboxylic acid, 6-bromo-2-hydroxy-, diethyl ester
CAS No:52802-64-9
MF:C16H15BrO5
MW:367.191304445267
CID:358754
PubChem ID:13620777
Update Time:2025-04-19
1,3-Azulenedicarboxylic acid, 6-bromo-2-hydroxy-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Azulenedicarboxylic acid, 6-bromo-2-hydroxy-, diethyl ester
- diethyl 6-bromo-2-hydroxyazulene-1,3-dicarboxylate
- 52802-64-9
- DTXSID60545205
-
- Inchi： 1S/C16H15BrO5/c1-3-21-15(19)12-10-7-5-9(17)6-8-11(10)13(14(12)18)16(20)22-4-2/h5-8,18H,3-4H2,1-2H3
- InChI Key： VOYQPRPCNXCSOY-UHFFFAOYSA-N
- SMILES： BrC1=CC=C2C(C(=O)OCC)=C(C(C(=O)OCC)=C2C=C1)O
Computed Properties
- Exact Mass: 366.01025
- Monoisotopic Mass: 366.01029g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 377
- 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: 4.2
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
1,3-Azulenedicarboxylic acid, 6-bromo-2-hydroxy-, diethyl ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Danlei Xiang Nanoscale, 2021,13, 5497-5506
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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5. Fe3O4/Au/Fe3O4 nanoflowers exhibiting tunable saturation magnetization and enhanced bioconjugationFeng Shi,Kunping Yan,Mingli Peng,Xiao Cheng,Yanling Luo,Xuemei Chen,V. A. L. Roy,Zuankai Wang Nanoscale, 2012,4, 747-751
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