Cas no 3517-02-0 (Benzoic acid, 5-formyl-2-hydroxy-3-methoxy-, ethyl ester)
3517-02-0 structure
Product Name:Benzoic acid, 5-formyl-2-hydroxy-3-methoxy-, ethyl ester
CAS No:3517-02-0
MF:C11H12O5
MW:224.209983825684
CID:1468501
PubChem ID:76851767
Update Time:2025-04-20
Benzoic acid, 5-formyl-2-hydroxy-3-methoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 5-formyl-2-hydroxy-3-methoxy-, ethyl ester
- benzoic acid,5-formyl-2-hydroxy-3-methoxy-,ethyl ester
- 3517-02-0
- DB-129937
- ETHYL 5-FORMYL-2-HYDROXY-3-METHOXYBENZOATE
- SCHEMBL4755043
-
- Inchi： 1S/C11H12O5/c1-3-16-11(14)8-4-7(6-12)5-9(15-2)10(8)13/h4-6,13H,3H2,1-2H3
- InChI Key： RHAVKQUPKJEWNE-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=C(C=O)C=C(C=1O)OC)=O
Computed Properties
- Exact Mass: 224.06846
- Monoisotopic Mass: 224.06847348g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 253
- 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: 1.8
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 72.83
Benzoic acid, 5-formyl-2-hydroxy-3-methoxy-, ethyl ester Related Literature
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
3517-02-0 (Benzoic acid, 5-formyl-2-hydroxy-3-methoxy-, ethyl ester) Related Products
- 214894-91-4(Methyl 2,3-dihydrobenzo[b][1,4]dioxine-5-carboxylate)
- 351002-97-6(Benzoic acid,2,5-diethoxy-, ethyl ester)
- 3943-73-5(Ethyl 2,3-dihydroxybenzoate)
- 14160-70-4(Ethyl 5-ethoxy-2-hydroxybenzoate)
- 7335-26-4(Ethyl 2-methoxybenzoate)
- 569-31-3(Meconin)
- 2150-42-7(Methyl 2,3-dimethoxybenzoate)
- 22775-40-2(Ethyl 2-hydroxy-5-methoxybenzoate)
- 6342-70-7(Methyl 2-Hydroxy-3-methoxybenzoate)
- 55482-89-8(Guacetisal)
Recommended suppliers
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shenzhen Yaoyuan R&D Center Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
HANGZHOU BAIS CHEMICAL TECHNOLOGY CO., LTD.
Gold Member
Audited Supplier
CN Supplier
Reagent
Suzhou Genelee Bio-Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk