-
ethyl 3-(methoxymethoxy)picolinate
1. Names and Identifiers
- 1.1 Name
- ethyl 3-(methoxymethoxy)picolinate
- 1.2 Synonyms
- 2-Pyridinecarboxylic acid, 3-(methoxymethoxy)-, ethyl ester; Ethyl 3-(methoxymethoxy)-2-pyridinecarboxylate;
- 1.3 CAS No.
- 107096-06-0
- 1.4 CID
- 21793324
- 1.5 Molecular Formula
- C19H16N2O2
- 1.6 Inchi
- InChI=1/C19H16N2O2/c22-18(14-7-3-1-4-8-14)20-16-11-12-17(13-16)21(20)19(23)15-9-5-2-6-10-15/h1-12,16-17H,13H2
- 1.7 InChkey
- OADDZCQHRNUEJA-UHFFFAOYNA-N
- 1.8 Canonical Smiles
- O=C(N1C2CC(C=C2)N1C(=O)C1=CC=CC=C1)C1=CC=CC=C1
- 1.9 Isomers Smiles
- O=C(N1C2CC(C=C2)N1C(=O)C1=CC=CC=C1)C1=CC=CC=C1
2. 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
3. Computed Properties
- Molecular Weight：304.349g/mol
- Molecular Formula：C19H16N2O2
- Compound Is Canonicalized：True
- Exact Mass：1.3
- XLogP3-AA：211.08445790
- Monoisotopic Mass：211.08445790
- Complexity：198
- Rotatable Bond Count：6
- Hydrogen Bond Donor Count：0
- Hydrogen Bond Acceptor Count：5
- Topological Polar Surface Area：57.6
- 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：AAADccByOAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAABgAAAHgAAAAAACAzhlgc+jpIIFACoATT3TASCiCA3YiAI2CG/bNgeJ/bEtbunMWhl4BHc6Qe4SAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
4. Realated Product Infomation
EN
