| CAS Number | 1235440-03-5 |
| Catalog Number | AG01FCKQ(AGN-PC-0WCAZE) |
| Chemical Name | 2-(cyclobutylmethoxy)isonicotinic acid |
| IUPAC Name | 2-(cyclobutylmethoxy)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C11H13NO3/c13-11(14)9-4-5-12-10(6-9)15-7-8-2-1-3-8/h4-6,8H,1-3,7H2,(H,13,14) |
| InChI Key | PNRNHXQTVFHWTC-UHFFFAOYSA-N |
| MDL Number | MFCD13195603 |
| Molecular Formula | C11H13NO3 |
| Molecular Weight | 207.2258 |
| SMILES | OC(=O)c1ccnc(c1)OCC1CCC1 |
| Synonyms | 2-(Cyclobutylmethoxy)isonicotinic acid,
1235440-03-5,
2-(cyclobutylmethoxy)pyridine-4-carboxylic acid,
CTK7J0368,
KS-00003SIA,
SBB053000,
ZINC47476129,
AKOS025393636,
TS-00387,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 207.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.229g/mol |
| Monoisotopic Mass | 207.09g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number