Cas no 109142-90-7 (Benzaldehyde,4-acetyl-2-hydroxy-)
109142-90-7 structure
Product Name:Benzaldehyde,4-acetyl-2-hydroxy-
CAS No:109142-90-7
MF:C9H8O3
MW:164.158022880554
CID:128304
PubChem ID:13682687
Update Time:2025-04-18
Benzaldehyde,4-acetyl-2-hydroxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,4-acetyl-2-hydroxy-
- Benzaldehyde, 4-acetyl-2-hydroxy- (9CI)
- 4-acetyl-2-hydroxybenzaldehyde
- SCHEMBL11585526
- DTXSID80546633
- 109142-90-7
-
- Inchi： 1S/C9H8O3/c1-6(11)7-2-3-8(5-10)9(12)4-7/h2-5,12H,1H3
- InChI Key： HGNTWTJATJAGBB-UHFFFAOYSA-N
- SMILES： OC1=C(C=O)C=CC(C(C)=O)=C1
Computed Properties
- Exact Mass: 164.04734
- Monoisotopic Mass: 164.047344113g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 188
- 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: 1.3
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
- LogP: 1.40730
Benzaldehyde,4-acetyl-2-hydroxy- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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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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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
109142-90-7 (Benzaldehyde,4-acetyl-2-hydroxy-) Related Products
- 1470-57-1(2-Hydroxy-5-methylbenzophenone)
- 699-91-2(2-Acetyl-6-methylphenol)
- 161876-64-8(4-Ethylsalicylaldehyde)
- 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)
- 13494-10-5(2',3'-Dihydroxyacetophenone)
- 480-66-0(Phloracetophenone)
- 117-99-7(2-Hydroxyphenone)
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