| CAS Number | 1016756-23-2 |
| Catalog Number | AG018H6U(AGN-PC-0WBPUV) |
| Chemical Name | 6-Isobutoxynicotinic acid |
| IUPAC Name | 6-(2-methylpropoxy)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C10H13NO3/c1-7(2)6-14-9-4-3-8(5-11-9)10(12)13/h3-5,7H,6H2,1-2H3,(H,12,13) |
| InChI Key | IGGUZPKESUQARQ-UHFFFAOYSA-N |
| MDL Number | MFCD09811820 |
| Molecular Formula | C10H13NO3 |
| Molecular Weight | 195.2151 |
| SMILES | CC(COC1=NC=C(C(O)=O)C=C1)C |
| Synonyms | 6-(2-methylpropoxy)pyridine-3-carboxylic acid,
6-isobutoxynicotinic acid,
1016756-23-2,
AC1Q1PTG,
SCHEMBL841827,
CTK6A8938,
IGGUZPKESUQARQ-UHFFFAOYSA-N,
BBL036537,
STL490880,
ZINC19396538,
AKOS000157686,
MCULE-4690600628,
NE59694,
EN300-43339,
F2147-1695,
Z444311588,
|
| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.218g/mol |
| Monoisotopic Mass | 195.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number