Cas no 96543-89-4 (Ethanone,1-(6-methyl-1,3-benzodioxol-5-yl)-)
96543-89-4 structure
Product Name:Ethanone,1-(6-methyl-1,3-benzodioxol-5-yl)-
CAS No:96543-89-4
MF:C10H10O3
MW:178.184603214264
CID:800393
PubChem ID:270582
Update Time:2025-04-19
Ethanone,1-(6-methyl-1,3-benzodioxol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(6-methyl-1,3-benzodioxol-5-yl)-
- 1-(6-methyl-1,3-benzodioxol-5-yl)ethanone
- 1-(6-METHYL-BENZO(1,3)DIOXOL-5-YL)-ETHANONE
- NSC-113067
- NSC113067
- 1-(6-methyl-2H-1,3-benzodioxol-5-yl)ethan-1-one
- DTXSID90297003
- SCHEMBL11695496
- AKOS023429861
- 96543-89-4
-
- Inchi： 1S/C10H10O3/c1-6-3-9-10(13-5-12-9)4-8(6)7(2)11/h3-4H,5H2,1-2H3
- InChI Key： KAVOCUHQVRBQAL-UHFFFAOYSA-N
- SMILES： O1COC2C=C(C(C)=O)C(C)=CC1=2
Computed Properties
- Exact Mass: 178.062994177g/mol
- Monoisotopic Mass: 178.062994177g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 214
- 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: 1.8
- Topological Polar Surface Area: 35.5?2
Ethanone,1-(6-methyl-1,3-benzodioxol-5-yl)- Related Literature
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
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
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
96543-89-4 (Ethanone,1-(6-methyl-1,3-benzodioxol-5-yl)-) Related Products
- 3162-29-6(1-(2H-1,3-benzodioxol-5-yl)ethan-1-one)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
Recommended suppliers
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Henan Dongyan Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shaanxi pure crystal photoelectric technology co. LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
