Cas no 110361-77-8 (Benzoic acid, 2,3,5-trimethoxy-, methyl ester)
110361-77-8 structure
Product Name:Benzoic acid, 2,3,5-trimethoxy-, methyl ester
CAS No:110361-77-8
MF:C11H14O5
MW:226.225863933563
CID:1197904
PubChem ID:5314834
Update Time:2025-04-20
Benzoic acid, 2,3,5-trimethoxy-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2,3,5-trimethoxy-, methyl ester
- SCHEMBL644055
- ghl.PD_Mitscher_leg0.1014
- methyl 2,3,5-trimethoxybenzoate
- 110361-77-8
- DTXSID301253227
-
- Inchi： 1S/C11H14O5/c1-13-7-5-8(11(12)16-4)10(15-3)9(6-7)14-2/h5-6H,1-4H3
- InChI Key： RPUPNUZGTZGLRS-UHFFFAOYSA-N
- SMILES： O(C)C1C(=CC(=CC=1C(=O)OC)OC)OC
Computed Properties
- Exact Mass: 226.08412
- Monoisotopic Mass: 226.08412354g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 230
- 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: 1.7
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 53.99
Benzoic acid, 2,3,5-trimethoxy-, methyl ester Related Literature
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
110361-77-8 (Benzoic acid, 2,3,5-trimethoxy-, methyl ester) Related Products
- 490-64-2(2,4,5-Trimethoxybenzoic acid)
- 2150-41-6(Methyl 2,4-dimethoxybenzoate)
- 214894-91-4(Methyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate)
- 2905-82-0(Methyl 2-hydroxy-5-methoxybenzoate)
- 5446-02-6(Methyl 4-methoxysalicylate)
- 28478-46-8(Methyl 4-hydroxy-2-methoxybenzoate)
- 2065-27-2(Methyl 2,6-dimethoxybenzoate)
- 6342-70-7(Methyl 2-Hydroxy-3-methoxybenzoate)
- 573-11-5(2,3,4-Trimethoxybenzoic acid)
- 55482-89-8(Guacetisal)
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