Cas no 221006-72-0 (Ethanone, 1-[4-(1,3-benzodioxol-5-yl)phenyl]-)
![Ethanone, 1-[4-(1,3-benzodioxol-5-yl)phenyl]- structure](https://ossimg.kuujia.com/scimg/221500/221006-72-0x500.png)
221006-72-0 structure
Product Name:Ethanone, 1-[4-(1,3-benzodioxol-5-yl)phenyl]-
CAS No:221006-72-0
MF:C15H12O3
MW:240.253984451294
CID:1406571
PubChem ID:22328035
Update Time:2025-04-20
Ethanone, 1-[4-(1,3-benzodioxol-5-yl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[4-(1,3-benzodioxol-5-yl)phenyl]-
- 221006-72-0
- 1-(4-Benzo[1,3] dioxol-5-yl-phenyl)-ethanone
- SCHEMBL4097987
- IJTSYYCCVVVDCA-UHFFFAOYSA-N
- DTXSID001267388
- 1-[4-(1,3-benzodioxol-5-yl)phenyl]ethanone
- CHEMBL261157
-
- Inchi： 1S/C15H12O3/c1-10(16)11-2-4-12(5-3-11)13-6-7-14-15(8-13)18-9-17-14/h2-8H,9H2,1H3
- InChI Key： IJTSYYCCVVVDCA-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(=CC1=2)C1C=CC(C(C)=O)=CC=1
Computed Properties
- Exact Mass: 240.07866
- Monoisotopic Mass: 240.078644241g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 307
- 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: 3.2
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 35.53
Ethanone, 1-[4-(1,3-benzodioxol-5-yl)phenyl]- Related Literature
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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
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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