Cas no 50515-42-9 (3-Buten-2-one, 4-methoxy-4-phenyl-)
50515-42-9 structure
Product Name:3-Buten-2-one, 4-methoxy-4-phenyl-
CAS No:50515-42-9
MF:C11H12O2
MW:176.211783409119
CID:364740
PubChem ID:71366553
Update Time:2025-04-19
3-Buten-2-one, 4-methoxy-4-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 4-methoxy-4-phenyl-
- 4-methoxy-4-phenylbut-3-en-2-one
- 50515-42-9
- DTXSID10789910
-
- Inchi： 1S/C11H12O2/c1-9(12)8-11(13-2)10-6-4-3-5-7-10/h3-8H,1-2H3
- InChI Key： SPVWPRJZBYNUFC-UHFFFAOYSA-N
- SMILES： O(C)C(=CC(C)=O)C1C=CC=CC=1
Computed Properties
- Exact Mass: 176.08376
- Monoisotopic Mass: 176.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3-Buten-2-one, 4-methoxy-4-phenyl- Related Literature
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
50515-42-9 (3-Buten-2-one, 4-methoxy-4-phenyl-) Related Products
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