Cas no 33507-94-7 (1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,3-dione)
33507-94-7 structure
Product Name:1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CAS No:33507-94-7
MF:C17H16O5
MW:300.305945396423
CID:1458102
PubChem ID:147536
Update Time:2025-04-20
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,3-dione
- 1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-phenyl-1,3-propanedione
- 1,3-Propanedione, 1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenyl-
- 33507-94-7
- DTXSID40187147
-
- Inchi： 1S/C17H16O5/c1-21-12-8-14(19)17(16(9-12)22-2)15(20)10-13(18)11-6-4-3-5-7-11/h3-9,19H,10H2,1-2H3
- InChI Key： RNHMENCCVPUKOB-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=C(C=1C(CC(C1C=CC=CC=1)=O)=O)O)OC
Computed Properties
- Exact Mass: 300.09978
- Monoisotopic Mass: 300.099774
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 6
- Complexity: 389
- 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
- Topological Polar Surface Area: 72.8
- XLogP3: 3.3
Experimental Properties
- Density: 1.234
- Boiling Point: 517.4°C at 760 mmHg
- Flash Point: 191.5°C
- Refractive Index: 1.581
- PSA: 72.83
1-(2-hydroxy-4,6-dimethoxyphenyl)-3-phenylpropane-1,3-dione Related Literature
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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