Cas no 62619-84-5 (1,4-Pentanedione, 1,1'-(1,3-phenylene)bis-)
62619-84-5 structure
Product Name:1,4-Pentanedione, 1,1'-(1,3-phenylene)bis-
CAS No:62619-84-5
MF:C16H18O4
MW:274.311725139618
CID:437780
PubChem ID:71384490
Update Time:2025-04-19
1,4-Pentanedione, 1,1'-(1,3-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Pentanedione, 1,1'-(1,3-phenylene)bis-
- 1-[3-(4-oxopentanoyl)phenyl]pentane-1,4-dione
- 62619-84-5
- 1,1'-(1,3-Phenylene)di(pentane-1,4-dione)
- DTXSID20806743
-
- Inchi： 1S/C16H18O4/c1-11(17)6-8-15(19)13-4-3-5-14(10-13)16(20)9-7-12(2)18/h3-5,10H,6-9H2,1-2H3
- InChI Key： DQFUSTLJYSQJHW-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C=1)C(CCC(C)=O)=O)CCC(C)=O
Computed Properties
- Exact Mass: 274.12054
- Monoisotopic Mass: 274.12050905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 8
- Complexity: 361
- 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: 0.5
- Topological Polar Surface Area: 68.3?2
Experimental Properties
- PSA: 68.28
1,4-Pentanedione, 1,1'-(1,3-phenylene)bis- Related Literature
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
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
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
62619-84-5 (1,4-Pentanedione, 1,1'-(1,3-phenylene)bis-) Related Products
- 37920-25-5(4'-Butylacetophenone)
- 3375-38-0(1,6-Diphenyl-1,6-hexanedione)
- 120-46-7(Dibenzoylmethane)
- 1009-14-9(Valerophenone)
- 1671-77-8(4’-Methylvalerophenone)
- 27465-51-6(1-(4-Ethylphenyl)propan-1-one)
- 51772-30-6(3'-Methylpropiophenone)
- 5337-93-9(4-Methylpropiophenone)
- 495-40-9(N-Butyrophenone)
- 495-71-6(1,2-Dibenzoylethane)
Recommended suppliers
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou Cedareal Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
