| CAS Number | 1244761-65-6 |
| Catalog Number | AG018SBV(AGN-PC-0WO8V4) |
| Chemical Name | 2-Cyclopropylnicotinic acid |
| IUPAC Name | 2-cyclopropylpyridine-3-carboxylic acid |
| InChI | InChI=1S/C9H9NO2/c11-9(12)7-2-1-5-10-8(7)6-3-4-6/h1-2,5-6H,3-4H2,(H,11,12) |
| InChI Key | ZEJNYZWEQWPWOJ-UHFFFAOYSA-N |
| MDL Number | MFCD18255584 |
| Molecular Formula | C9H9NO2 |
| Molecular Weight | 163.1733 |
| SMILES | C1(CC1)C1=C(C(=O)O)C=CC=N1 |
| Synonyms | 2-Cyclopropylnicotinic acid,
1244761-65-6,
2-cyclopropylpyridine-3-carboxylic acid,
ZINC95348151,
AKOS023666862,
KS-8429,
MCULE-9693069433,
NE32262,
F8889-7195,
Z1815155429,
|
| 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