Cas no 483-53-4 (1,2-Benzenedicarboxaldehyde,3,4,5-trihydroxy-6-methyl-)
483-53-4 structure
Product Name:1,2-Benzenedicarboxaldehyde,3,4,5-trihydroxy-6-methyl-
1,2-Benzenedicarboxaldehyde,3,4,5-trihydroxy-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxaldehyde,3,4,5-trihydroxy-6-methyl-
- 3,4,5-trihydroxy-6-methylphthalaldehyde
- Flavipin
- 3,4,5-Trihydroxy-6-methyl-1,2-benzenedicarboxaldehyde
- Phthalaldehyde, 3,4,5-trihydroxy-6-methyl-
- 3,4,5-Trihydroxy-6-methyl-1,2-benzenedicarbaldehyde
- 1,2-Benzenedicarboxaldehyde, 3,4,5-trihydroxy-6-methyl-
- CS-0373679
- DTXSID50197479
- HY-N10295
-
- Inchi： 1S/C9H8O5/c1-4-5(2-10)6(3-11)8(13)9(14)7(4)12/h2-3,12-14H,1H3
- InChI Key： COJARPHAKVBMFD-UHFFFAOYSA-N
- SMILES： C1(C=O)=C(C)C(O)=C(O)C(O)=C1C=O
Computed Properties
- Exact Mass: 196.03714
- Monoisotopic Mass: 196.037
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 229
- 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: 0.7
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- Density: 1.577
- Melting Point: 233-234 °C (decomp)
- Boiling Point: 353.7°Cat760mmHg
- Flash Point: 181.9°C
- Refractive Index: 1.741
- PSA: 94.83
- pka: 6.86±0.33(Predicted)
1,2-Benzenedicarboxaldehyde,3,4,5-trihydroxy-6-methyl- Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
483-53-4 (1,2-Benzenedicarboxaldehyde,3,4,5-trihydroxy-6-methyl-) Related Products
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