Cas no 52046-71-6 (1-(4-hydroxyphenyl)-3-phenylpropane-1,3-dione)
52046-71-6 structure
Product Name:1-(4-hydroxyphenyl)-3-phenylpropane-1,3-dione
CAS No:52046-71-6
MF:C15H12O3
MW:240.253984451294
CID:936273
PubChem ID:341814
Update Time:2025-04-19
1-(4-hydroxyphenyl)-3-phenylpropane-1,3-dione Chemical and Physical Properties
Names and Identifiers
-
- 1-(4-hydroxyphenyl)-3-phenylpropane-1,3-dione
- 52046-71-6
- NSC375382
- NSC-375382
- SCHEMBL127249
- DTXSID90321438
-
- Inchi： 1S/C15H12O3/c16-13-8-6-12(7-9-13)15(18)10-14(17)11-4-2-1-3-5-11/h1-9,16H,10H2
- InChI Key： UKQHHKBUTVQHSN-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(=CC=1)O)CC(C1C=CC=CC=1)=O
Computed Properties
- Exact Mass: 240.07866
- Monoisotopic Mass: 240.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 297
- 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: 2.9
- Topological Polar Surface Area: 54.4?2
Experimental Properties
- PSA: 54.37
1-(4-hydroxyphenyl)-3-phenylpropane-1,3-dione Related Literature
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
52046-71-6 (1-(4-hydroxyphenyl)-3-phenylpropane-1,3-dione) Related Products
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