Cas no 87723-98-6 (1,3-Propanedione, 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-)
87723-98-6 structure
Product Name:1,3-Propanedione, 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-
CAS No:87723-98-6
MF:C17H14O4
MW:282.290665149689
CID:653039
PubChem ID:13263262
Update Time:2025-04-19
1,3-Propanedione, 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 1,3-Propanedione, 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)-
- 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)propane-1,3-dione
- 87723-98-6
- DTXSID40532895
- 1-(2H-1,3-Benzodioxol-5-yl)-3-(4-methylphenyl)propane-1,3-dione
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- Inchi： 1S/C17H14O4/c1-11-2-4-12(5-3-11)14(18)9-15(19)13-6-7-16-17(8-13)21-10-20-16/h2-8H,9-10H2,1H3
- InChI Key： UBIWJXHPFRVUEB-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(C(CC(C3C=CC(C)=CC=3)=O)=O)=CC1=2
Computed Properties
- Exact Mass: 282.08920892g/mol
- Monoisotopic Mass: 282.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 398
- 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: 3.1
- Topological Polar Surface Area: 52.6?2
1,3-Propanedione, 1-(1,3-benzodioxol-5-yl)-3-(4-methylphenyl)- Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
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