Cas no 917592-82-6 (Benzoic acid, 6-ethoxy-2,3,4-trimethyl-, ethyl ester)
917592-82-6 structure
Product Name:Benzoic acid, 6-ethoxy-2,3,4-trimethyl-, ethyl ester
CAS No:917592-82-6
MF:C14H20O3
MW:236.306804656982
CID:785868
PubChem ID:71428592
Update Time:2025-04-19
Benzoic acid, 6-ethoxy-2,3,4-trimethyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 6-ethoxy-2,3,4-trimethyl-, ethyl ester
- ethyl 6-ethoxy-2,3,4-trimethylbenzoate
- DTXSID20847313
- 917592-82-6
-
- Inchi： 1S/C14H20O3/c1-6-16-12-8-9(3)10(4)11(5)13(12)14(15)17-7-2/h8H,6-7H2,1-5H3
- InChI Key： BWVOWAYFOMYSSK-UHFFFAOYSA-N
- SMILES： O(CC)C1C=C(C)C(C)=C(C)C=1C(=O)OCC
Computed Properties
- Exact Mass: 236.14124450g/mol
- Monoisotopic Mass: 236.14124450g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 252
- 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
- XLogP3: 3.6
- Topological Polar Surface Area: 35.5?2
Benzoic acid, 6-ethoxy-2,3,4-trimethyl-, ethyl ester 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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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
917592-82-6 (Benzoic acid, 6-ethoxy-2,3,4-trimethyl-, ethyl ester) Related Products
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