Cas no 854656-95-4 (1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-)
854656-95-4 structure
Product Name:1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-
CAS No:854656-95-4
MF:C9H8O5
MW:196.156823158264
CID:664241
PubChem ID:11542938
Update Time:2024-03-02
1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-
- 2,4,6-trihydroxy-5-methylbenzene-1,3-dicarbaldehyde
- 2,4,6-trihydroxy-5-methyl-1,3-Benzenedicarboxaldehyde
- 3,5-diformyl-2,4,6-trihydroxytoluene
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- Inchi： 1S/C9H8O5/c1-4-7(12)5(2-10)9(14)6(3-11)8(4)13/h2-3,12-14H,1H3
- InChI Key： OHHGMFYKHOCZJZ-UHFFFAOYSA-N
- SMILES： C1(C=O)=C(O)C(C)=C(O)C(C=O)=C1O
Computed Properties
- Exact Mass: 196.03717335g/mol
- Monoisotopic Mass: 196.03717335g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 207
- 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: 1.2
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- Density: 1.577±0.06 g/cm3(Predicted)
- Melting Point: 188-190 °C
- Boiling Point: 335.7±42.0 °C(Predicted)
- pka: 5.63±0.33(Predicted)
1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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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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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
854656-95-4 (1,3-Benzenedicarboxaldehyde, 2,4,6-trihydroxy-5-methyl-) Related Products
- 35094-87-2(2,4,5-Trihydroxybenzaldehyde)
- 81502-74-1(TFP)
- 15174-69-3(4-Hydroxy-3-methylbenzaldehyde)
- 708-06-5(2-hydroxynaphthalene-1-carbaldehyde)
- 1194-98-5(2,5-Dihydroxybenzaldehyde)
- 95-01-2(2,4-Dihydroxybenzaldehyde)
- 2233-18-3(3,5-Dimethyl-4-hydroxybenzaldehyde)
- 487-70-7(2,4,6-Trihydroxybenzaldehyde)
- 387-46-2(2,6-Dihydroxybenzaldehyde)
- 613-84-3(2-Hydroxy-5-methylbenzaldehyde)
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