Cas no 61666-64-6 (Propanal, 2-(4-methyl-5-oxo-3-cyclohexen-1-ylidene)-)
61666-64-6 structure
Product Name:Propanal, 2-(4-methyl-5-oxo-3-cyclohexen-1-ylidene)-
CAS No:61666-64-6
MF:C10H12O2
MW:164.201083183289
CID:470852
PubChem ID:71393614
Update Time:2025-04-19
Propanal, 2-(4-methyl-5-oxo-3-cyclohexen-1-ylidene)- Chemical and Physical Properties
Names and Identifiers
-
- Propanal, 2-(4-methyl-5-oxo-3-cyclohexen-1-ylidene)-
- 2-(4-methyl-5-oxocyclohex-3-en-1-ylidene)propanal
- 61666-64-6
- DTXSID00815373
-
- Inchi： 1S/C10H12O2/c1-7-3-4-9(5-10(7)12)8(2)6-11/h3,6H,4-5H2,1-2H3
- InChI Key： PZJCNFDGLWFOPY-UHFFFAOYSA-N
- SMILES： O=C1C(C)=CCC(=C(C=O)C)C1
Computed Properties
- Exact Mass: 164.08376
- Monoisotopic Mass: 164.083729621g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 282
- 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: 0.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Propanal, 2-(4-methyl-5-oxo-3-cyclohexen-1-ylidene)- Related Literature
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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