| CAS Number | 81454-23-1 |
| Catalog Number | AG01E1LB |
| Chemical Name | 2-(1,1-dimethoxyethyl)pyridine |
| IUPAC Name | 2-(1,1-dimethoxyethyl)pyridine |
| InChI | InChI=1S/C9H13NO2/c1-9(11-2,12-3)8-6-4-5-7-10-8/h4-7H,1-3H3 |
| InChI Key | IKNMJLGGVYFBFL-UHFFFAOYSA-N |
| MDL Number | MFCD18803371 |
| Molecular Formula | C9H13NO2 |
| Molecular Weight | 167.2050 |
| SMILES | COC(C1=NC=CC=C1)(OC)C |
| Synonyms | 2-(1,1-dimethoxyethyl)-pyridine,
81454-23-1,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.208g/mol |
| Monoisotopic Mass | 167.095g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 31.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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