Cas no 709027-61-2 (Benzaldehyde,2-ethyl-4,6-dimethoxy-3-methyl-)
709027-61-2 structure
Product Name:Benzaldehyde,2-ethyl-4,6-dimethoxy-3-methyl-
CAS No:709027-61-2
MF:C12H16O3
MW:208.253643989563
CID:557777
PubChem ID:53470938
Update Time:2025-04-19
Benzaldehyde,2-ethyl-4,6-dimethoxy-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde,2-ethyl-4,6-dimethoxy-3-methyl-
- m-Tolualdehyde,2-ethyl-4,6-dimethoxy- (5CI)
- 2-ethyl-4,6-dimethoxy-3-methylbenzaldehyde
- DTXSID00703524
- 709027-61-2
-
- Inchi： 1S/C12H16O3/c1-5-9-8(2)11(14-3)6-12(15-4)10(9)7-13/h6-7H,5H2,1-4H3
- InChI Key： FXIDHMHMHWCHIM-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=C(C=O)C(CC)=C1C)OC
Computed Properties
- Exact Mass: 208.11
- Monoisotopic Mass: 208.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 2.5
- Topological Polar Surface Area: 35.5A^2
Benzaldehyde,2-ethyl-4,6-dimethoxy-3-methyl- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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