Cas no 62378-72-7 (3,5-Hexadien-2-one, 6-(4-methoxyphenyl)-)
62378-72-7 structure
Product Name:3,5-Hexadien-2-one, 6-(4-methoxyphenyl)-
CAS No:62378-72-7
MF:C13H14O2
MW:202.249063968658
CID:447165
PubChem ID:71387031
Update Time:2025-04-19
3,5-Hexadien-2-one, 6-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3,5-Hexadien-2-one, 6-(4-methoxyphenyl)-
- 6-(4-methoxyphenyl)hexa-3,5-dien-2-one
- 62378-72-7
- DTXSID30809169
-
- Inchi： 1S/C13H14O2/c1-11(14)5-3-4-6-12-7-9-13(15-2)10-8-12/h3-10H,1-2H3
- InChI Key： KPRAGSGDXLEWGJ-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC(C=CC=CC(C)=O)=CC=1
Computed Properties
- Exact Mass: 202.09942
- Monoisotopic Mass: 202.099379685g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 245
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 2.6
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
3,5-Hexadien-2-one, 6-(4-methoxyphenyl)- Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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2. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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