Cas no 89556-67-2 (Benzaldehyde, 2,5-dimethoxy-4-(1-methylpropyl)-)
89556-67-2 structure
Product Name:Benzaldehyde, 2,5-dimethoxy-4-(1-methylpropyl)-
CAS No:89556-67-2
MF:C13H18O3
MW:222.280224323273
CID:596685
PubChem ID:71324921
Update Time:2025-04-19
Benzaldehyde, 2,5-dimethoxy-4-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 2,5-dimethoxy-4-(1-methylpropyl)-
- 4-butan-2-yl-2,5-dimethoxybenzaldehyde
- DTXSID60754330
- 4-(Butan-2-yl)-2,5-dimethoxybenzaldehyde
- 89556-67-2
-
- Inchi： 1S/C13H18O3/c1-5-9(2)11-7-12(15-3)10(8-14)6-13(11)16-4/h6-9H,5H2,1-4H3
- InChI Key： WHITVDMDFRMBIU-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=O)C(=CC=1C(C)CC)OC
Computed Properties
- Exact Mass: 222.125594432g/mol
- Monoisotopic Mass: 222.125594432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 217
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 35.5?2
Benzaldehyde, 2,5-dimethoxy-4-(1-methylpropyl)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
89556-67-2 (Benzaldehyde, 2,5-dimethoxy-4-(1-methylpropyl)-) Related Products
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