| CAS Number | 1183915-47-0 |
| Catalog Number | AG01A90L(AGN-PC-0WOCG1) |
| Chemical Name | 6-(3-Methoxypropoxy)pyridine-3-carboxylic acid |
| IUPAC Name | 6-(3-methoxypropoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO4/c1-14-5-2-6-15-9-4-3-8(7-11-9)10(12)13/h3-4,7H,2,5-6H2,1H3,(H,12,13) |
| InChI Key | XNSDREBZJORDTN-UHFFFAOYSA-N |
| MDL Number | MFCD12767860 |
| Molecular Formula | C10H13NO4 |
| Molecular Weight | 211.2145 |
| SMILES | COCCCOC1=NC=C(C(O)=O)C=C1 |
| Synonyms | 6-(3-methoxypropoxy)pyridine-3-carboxylic acid,
1183915-47-0,
AC1Q4FUR,
ZINC37747046,
AKOS010141574,
MCULE-7625193795,
NE35695,
EN300-63907,
Z993967142,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.217g/mol |
| Monoisotopic Mass | 211.084g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 68.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number