Cas no 61774-54-7 (Benzoic acid, 6-hydroxy-3,4-dimethoxy-2-methyl-, ethyl ester)
61774-54-7 structure
Product Name:Benzoic acid, 6-hydroxy-3,4-dimethoxy-2-methyl-, ethyl ester
CAS No:61774-54-7
MF:C12H16O5
MW:240.252444267273
CID:466620
PubChem ID:71392375
Update Time:2025-04-19
Benzoic acid, 6-hydroxy-3,4-dimethoxy-2-methyl-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 6-hydroxy-3,4-dimethoxy-2-methyl-, ethyl ester
- ethyl 6-hydroxy-3,4-dimethoxy-2-methylbenzoate
- 61774-54-7
- DTXSID30814192
-
- Inchi： 1S/C12H16O5/c1-5-17-12(14)10-7(2)11(16-4)9(15-3)6-8(10)13/h6,13H,5H2,1-4H3
- InChI Key： KYRFLIKIFUUHTC-UHFFFAOYSA-N
- SMILES： O(C)C1=C(C=C(C(C(=O)OCC)=C1C)O)OC
Computed Properties
- Exact Mass: 240.09978
- Monoisotopic Mass: 240.09977361g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 255
- 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: 2.6
- Topological Polar Surface Area: 65?2
Experimental Properties
- PSA: 64.99
Benzoic acid, 6-hydroxy-3,4-dimethoxy-2-methyl-, ethyl ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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