| CAS Number | 1011487-86-7 |
| Catalog Number | AG0091U6 |
| Chemical Name | 6-(2-Hydroxyethoxy)nicotinaldehyde |
| IUPAC Name | 6-(2-hydroxyethoxy)pyridine-3-carbaldehyde |
| InChI | InChI=1S/C8H9NO3/c10-3-4-12-8-2-1-7(6-11)5-9-8/h1-2,5-6,10H,3-4H2 |
| InChI Key | JKVDEQIUVMTXNC-UHFFFAOYSA-N |
| MDL Number | MFCD14582878 |
| Molecular Formula | C8H9NO3 |
| Molecular Weight | 167.1620 |
| SMILES | OCCOC1=NC=C(C=O)C=C1 |
| Synonyms | 6-(2-Hydroxyethoxy)nicotinaldehyde,
1011487-86-7,
SCHEMBL245424,
JKVDEQIUVMTXNC-UHFFFAOYSA-N,
ZINC83141877,
AKOS017518498,
6-(2-hydroxyethoxy)pyridine-3-carbaldehyde,
6-(2-Hydroxyethoxy)pyridine-3-carboxaldehyde,
3-Pyridinecarboxaldehyde, 6-(2-hydroxyethoxy)-,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.058243g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.16g/mol |
| Monoisotopic Mass | 167.058243g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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