Cas no 96573-29-4 (Benzaldehyde, 2,4,6-trihydroxy-3-(1-oxopropyl)-)
96573-29-4 structure
Product Name:Benzaldehyde, 2,4,6-trihydroxy-3-(1-oxopropyl)-
CAS No:96573-29-4
MF:C10H10O5
MW:210.183403491974
CID:751386
PubChem ID:16728391
Update Time:2025-04-19
Benzaldehyde, 2,4,6-trihydroxy-3-(1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzaldehyde, 2,4,6-trihydroxy-3-(1-oxopropyl)-
- 2,4,6-trihydroxy-3-propanoylbenzaldehyde
- 96573-29-4
- DTXSID70587419
- 2,4,6-trihydroxy-3-propanoyl-benzaldehyde
- CHEMBL389190
- 2,4,6-trihydroxy-3-(1-oxopropyl)benzaldehyde
-
- Inchi： 1S/C10H10O5/c1-2-6(12)9-8(14)3-7(13)5(4-11)10(9)15/h3-4,13-15H,2H2,1H3
- InChI Key： MDTQTMLLISVOEL-UHFFFAOYSA-N
- SMILES： OC1C(C=O)=C(C=C(C=1C(CC)=O)O)O
Computed Properties
- Exact Mass: 210.05282342g/mol
- Monoisotopic Mass: 210.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 252
- 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: 1.6
- Topological Polar Surface Area: 94.8?2
Benzaldehyde, 2,4,6-trihydroxy-3-(1-oxopropyl)- 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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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
96573-29-4 (Benzaldehyde, 2,4,6-trihydroxy-3-(1-oxopropyl)-) Related Products
- 2295-58-1(Flopropione)
- 610-99-1(2'-Hydroxypropiophenone)
- 4390-92-5(1-(2,4-Dihydroxyphenyl)butan-1-one)
- 2887-61-8(2'-Hydroxybutyrophenone)
- 3516-95-8(2’-Hydroxy-3-phenylpropiophenone)
- 89-84-9(2',4'-Dihydroxyacetophenone)
- 699-83-2(2',6'-Dihydroxyacetophenone)
- 5792-36-9(2',4'-Dihydroxypropiophenone)
- 3144-54-5(1-(2,4-Dihydroxyphenyl)-1-hexanone)
- 480-66-0(Phloracetophenone)
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