| CAS Number | 1216171-07-1 |
| Catalog Number | AG016WPY(AGN-PC-0WALVO) |
| Chemical Name | 2-Cyclopropyl-isonicotinic acid |
| IUPAC Name | 2-cyclopropylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C9H9NO2/c11-9(12)7-3-4-10-8(5-7)6-1-2-6/h3-6H,1-2H2,(H,11,12) |
| InChI Key | QFUFLFJZHFCDLM-UHFFFAOYSA-N |
| MDL Number | MFCD13187883 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | C1CC1C2=NC=CC(=C2)C(=O)O |
| Synonyms | 2-Cyclopropylisonicotinic acid,
1216171-07-1,
2-cyclopropylpyridine-4-carboxylic acid,
2-Cyclopropyl-isonicotinic acid,
SCHEMBL16094504,
QFUFLFJZHFCDLM-UHFFFAOYSA-N,
KS-00003T4R,
MFCD13187883,
ZINC40542669,
AKOS022714384,
MCULE-8119329172,
NE28972,
TS-02172,
F8881-4896,
Z1768428824,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.176g/mol |
| Monoisotopic Mass | 163.063g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number