ethyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate
- Iupac Name：ethyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate
- CAS No.: 107095-99-8
- Molecular Weight：207.185
- Modify Date.: 2022-11-24 23:40
1. Names and Identifiers
- 1.1 Name
- ethyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate
- 1.2 Synonyms
ethyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate Furo[3,2-b]pyridine-2-carboxylic acid, 3-hydroxy-, ethyl ester
- 1.3 CAS No.
- 107095-99-8
- 1.4 CID
- 54723935
- 1.5 Molecular Formula
- C10H9NO4 (isomer)
- 1.6 Inchi
- InChI=1S/C10H9NO4/c1-2-14-10(13)9-8(12)7-6(15-9)4-3-5-11-7/h3-5,12H,2H2,1H3
- 1.7 InChIkey
- OWBJDCJMUBQENL-UHFFFAOYSA-N
- 1.8 Canonical Smiles
- CCOC(=O)C1=C(C2=C(O1)C=CC=N2)O
- 1.9 Isomers Smiles
- CCOC(=O)C1=C(C2=C(O1)C=CC=N2)O
2. Properties
- 2.1 Precise Quality
- 207.05300
- 2.1 PSA
- 72.56000
- 2.1 logP
- 1.71010
3. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
no data available
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | no data available |
| Signal word | no data available |
| Hazard statement(s) | no data available |
| Precautionary statement(s) | |
| Prevention | no data available |
| Response | no data available |
| Storage | no data available |
| Disposal | no data available |
2.3 Other hazards which do not result in classification
no data available
4. Synthesis Route
107095-99-8Total: 3 Synthesis Route
6. Computational chemical data
- Molecular Weight: 207.185g/mol
- Molecular Formula: C10H9NO4
- Compound Is Canonicalized: True
- XLogP3-AA: 2.1
- Exact Mass: 207.05315777
- Monoisotopic Mass: 207.05315777
- Complexity: 246
- Rotatable Bond Count: 3
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Topological Polar Surface Area: 72.6
- Heavy Atom Count: 15
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADccByOAAAAAAAAAAAAAAAAAAAASAAAAAsAAAAAAAAAFgB+AAAHgAACAAACAzhlgY+zrIIFkCoAbT3TAaCiCA3YiAI2CH/7NgPJ/7Wtb+Heevn4B3b+ce87qzgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Recommended Suppliers
-
- Products:3-Fluoro-isonicotinic acid,Osmium tetroxide,Mafenide Hcl,3-Bromopentane,2-Phenylacetoacetonitrile,OSMIUM
- Tel:86-755-33239182
-
8. Realated Product Infomation
![ethyl 3-hydroxyfuro[3,2-b]pyridine-2-carboxylate structure](http://structimg.guidechem.com/7/43/1496502.png)
![ETHYL 3-HYDROXYFURO[2,3-C]PYRIDINE-2-CARBOXYLATE](https://structimg.guidechem.com/1/1/1273740.png)
![ETHYL 3-HYDROXYFURO[2,3-B]PYRIDINE-2-CARBOXYLATE](https://structimg.guidechem.com/12/36/1557515.png)
![3-Hydroxyfuro[3,2-c]pyridine-2-carboxylic acid ethyl ester](https://structimg.guidechem.com/3/3/763142.png)
![ETHYL PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLATE](https://structimg.guidechem.com/2/2/18901.png)
![Ethyl Imidazo[1,2-a]pyridine-3-carboxylate](https://structimg.guidechem.com/9/21/327500.png)
![ETHYL IMIDAZO[1,5-A]PYRIDINE-3-CARBOXYLATE](https://structimg.guidechem.com/6/6/529805.png)
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