Cas no 406933-84-4 (Cyclobutaneacetaldehyde,3-acetyl-2-methyl-)
406933-84-4 structure
Product Name:Cyclobutaneacetaldehyde,3-acetyl-2-methyl-
CAS No:406933-84-4
MF:C9H14O2
MW:154.206263065338
CID:326135
PubChem ID:45085979
Update Time:2025-04-19
Cyclobutaneacetaldehyde,3-acetyl-2-methyl- Chemical and Physical Properties
Names and Identifiers
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- Cyclobutaneacetaldehyde,3-acetyl-2-methyl-
- Cyclobutaneacetaldehyde, 3-acetyl-2-methyl- (9CI)
- 406933-84-4
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- Inchi： 1S/C9H14O2/c1-6-8(3-4-10)5-9(6)7(2)11/h4,6,8-9H,3,5H2,1-2H3
- InChI Key： DTAYBDFOZSHWOS-UHFFFAOYSA-N
- SMILES： O=C(C)C1CC(CC=O)C1C
Computed Properties
- Exact Mass: 154.09900
- Monoisotopic Mass: 154.099
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 174
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 3
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 34.1A^2
- XLogP3: 0.5
Experimental Properties
- PSA: 34.14000
- LogP: 1.43660
Cyclobutaneacetaldehyde,3-acetyl-2-methyl- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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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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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
406933-84-4 (Cyclobutaneacetaldehyde,3-acetyl-2-methyl-) Related Products
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