Cas no 89877-54-3 (Benzoic acid, 2-hydroxy-4,6-dimethoxy-3-methyl-, methyl ester)
89877-54-3 structure
Product Name:Benzoic acid, 2-hydroxy-4,6-dimethoxy-3-methyl-, methyl ester
CAS No:89877-54-3
MF:C11H14O5
MW:226.225863933563
CID:586199
PubChem ID:71326700
Update Time:2025-04-19
Benzoic acid, 2-hydroxy-4,6-dimethoxy-3-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-hydroxy-4,6-dimethoxy-3-methyl-, methyl ester
- methyl 2-hydroxy-4,6-dimethoxy-3-methylbenzoate
- methyl 4,6-dimethoxy-2-hydroxy-3-methylbenzoate
- DTXSID00755841
- 89877-54-3
-
- Inchi： 1S/C11H14O5/c1-6-7(14-2)5-8(15-3)9(10(6)12)11(13)16-4/h5,12H,1-4H3
- InChI Key： HILKBFYRKOFIGN-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(=C(C(=O)OC)C(=C1C)O)OC
Computed Properties
- Exact Mass: 226.08412354g/mol
- Monoisotopic Mass: 226.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 243
- 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: 2.3
- Topological Polar Surface Area: 65?2
Benzoic acid, 2-hydroxy-4,6-dimethoxy-3-methyl-, methyl ester Related Literature
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
89877-54-3 (Benzoic acid, 2-hydroxy-4,6-dimethoxy-3-methyl-, methyl ester) Related Products
- 119-36-8(Methyl salicylate)
- 2150-47-2(Methyl 2,4-dihydroxybenzoate)
- 5446-02-6(Methyl 4-methoxysalicylate)
- 22955-73-3(Dimethyl 4-methoxyisophthalate)
- 91-52-1(2,4-Dimethoxybenzoic acid)
- 552-94-3(Salsalate)
- 2065-27-2(Methyl 2,6-dimethoxybenzoate)
- 3686-55-3(Methyl 2-ethoxybenzoate)
- 118-55-8(Phenyl salicylate)
- 50-78-2(Aspirin)
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