Cas no 61572-42-7 (2-Propen-1-one, 1,3-bis(3-methylphenyl)-, (E)-)
61572-42-7 structure
Product Name:2-Propen-1-one, 1,3-bis(3-methylphenyl)-, (E)-
CAS No:61572-42-7
MF:C17H16O
MW:236.308344841003
CID:474392
PubChem ID:55355347
Update Time:2025-04-19
2-Propen-1-one, 1,3-bis(3-methylphenyl)-, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propen-1-one, 1,3-bis(3-methylphenyl)-, (E)-
- 1,3-bis(3-methylphenyl)prop-2-en-1-one
- 61572-42-7
- MFCD21335250
- AKOS006474773
- (2E)-1,3-Bis(3-methylphenyl)prop-2-en-1-one
- (E)-1,3-bis(3-methylphenyl)prop-2-en-1-one
-
- Inchi： 1S/C17H16O/c1-13-5-3-7-15(11-13)9-10-17(18)16-8-4-6-14(2)12-16/h3-12H,1-2H3/b10-9+
- InChI Key： NSBPAQMKLQXTEO-MDZDMXLPSA-N
- SMILES： O=C(/C=C/C1=CC=CC(C)=C1)C1=CC=CC(C)=C1
Computed Properties
- Exact Mass: 236.12018
- Monoisotopic Mass: 236.12
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 305
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 17.1A^2
- XLogP3: 4.4
Experimental Properties
- PSA: 17.07
2-Propen-1-one, 1,3-bis(3-methylphenyl)-, (E)- Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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