Cas no 823789-50-0 (Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester)
823789-50-0 structure
Product Name:Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester
CAS No:823789-50-0
MF:C11H13IO4
MW:336.122996091843
CID:693366
PubChem ID:16204082
Update Time:2025-04-19
Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester
- methyl 3-iodo-2,4-dimethoxy-6-methylbenzoate
- DTXSID60583309
- 823789-50-0
-
- Inchi: 1S/C11H13IO4/c1-6-5-7(14-2)9(12)10(15-3)8(6)11(13)16-4/h5H,1-4H3
- InChI Key: ZUHGXUIXPBCPST-UHFFFAOYSA-N
- SMILES: IC1C(=CC(C)=C(C(=O)OC)C=1OC)OC
Computed Properties
- Exact Mass: 335.98586g/mol
- Monoisotopic Mass: 335.98586g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 246
- 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: 2.7
- Topological Polar Surface Area: 44.8?2
Benzoic acid, 3-iodo-2,4-dimethoxy-6-methyl-, methyl ester Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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