Cas no 15364-83-7 (Benzoic acid, 4,5-dimethoxy-2-methyl-, ethyl ester)
15364-83-7 structure
Product Name:Benzoic acid, 4,5-dimethoxy-2-methyl-, ethyl ester
CAS No:15364-83-7
MF:C12H16O4
MW:224.253044128418
CID:1327609
PubChem ID:52106979
Update Time:2025-04-20
Benzoic acid, 4,5-dimethoxy-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4,5-dimethoxy-2-methyl-, ethyl ester
- ethyl 4,5-dimethoxy-2-methylbenzoate
- 15364-83-7
- DTXSID10680231
- SCHEMBL13468491
-
- Inchi： 1S/C12H16O4/c1-5-16-12(13)9-7-11(15-4)10(14-3)6-8(9)2/h6-7H,5H2,1-4H3
- InChI Key： HUYJRHHBILHEMF-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC(C(=O)OCC)=C(C)C=1)OC
Computed Properties
- Exact Mass: 224.10488
- Monoisotopic Mass: 224.105
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 229
- 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
- Topological Polar Surface Area: 44.8A^2
- XLogP3: 2.4
Experimental Properties
- PSA: 44.76
Benzoic acid, 4,5-dimethoxy-2-methyl-, ethyl ester Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Hui Liu,Deyong Su,Guolin Cheng,Jimin Xu,Xinyan Wang,Yuefei Hu Org. Biomol. Chem., 2010,8, 1899-1904
15364-83-7 (Benzoic acid, 4,5-dimethoxy-2-methyl-, ethyl ester) Related Products
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