Cas no 98946-50-0 (1,3-Benzenedicarboxaldehyde, 5-acetyl-2-hydroxy-)
98946-50-0 structure
Product Name:1,3-Benzenedicarboxaldehyde, 5-acetyl-2-hydroxy-
CAS No:98946-50-0
MF:C10H8O4
MW:192.168123245239
CID:750433
PubChem ID:71332083
Update Time:2025-04-19
1,3-Benzenedicarboxaldehyde, 5-acetyl-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxaldehyde, 5-acetyl-2-hydroxy-
- 5-acetyl-2-hydroxybenzene-1,3-dicarbaldehyde
- DTXSID40760590
- 98946-50-0
-
- Inchi： 1S/C10H8O4/c1-6(13)7-2-8(4-11)10(14)9(3-7)5-12/h2-5,14H,1H3
- InChI Key： FEMASQWEWASIDP-UHFFFAOYSA-N
- SMILES： OC1=C(C=O)C=C(C(C)=O)C=C1C=O
Computed Properties
- Exact Mass: 192.04225873g/mol
- Monoisotopic Mass: 192.04225873g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 231
- 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: 71.4?2
1,3-Benzenedicarboxaldehyde, 5-acetyl-2-hydroxy- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
98946-50-0 (1,3-Benzenedicarboxaldehyde, 5-acetyl-2-hydroxy-) Related Products
- 876-02-8(4'-Hydroxy-3'-methylacetophenone)
- 1470-79-7(2,4,4'-Trihydroxybenzophenone)
- 6921-64-8(1-(2-Hydroxy-4-methylphenyl)ethanone)
- 89-84-9(2',4'-Dihydroxyacetophenone)
- 490-78-8(2',5'-Dihydroxyacetophenone)
- 699-83-2(2',6'-Dihydroxyacetophenone)
- 1634-34-0(p-Orcacetophenone)
- 117-99-7(2-Hydroxyphenone)
- 131-56-6(2,4-Dihydroxybenzophenone)
- 574-19-6(2'-Hydroxy-1'-acetonaphthone)
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