| CAS Number | 1787905-81-0 |
| Catalog Number | AG01AFKU(AGN-PC-0WO3PZ) |
| Chemical Name | 2-(5-Methylpyridin-3-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(5-methylpyridin-3-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C8H9NO2.ClH/c1-6-2-7(3-8(10)11)5-9-4-6;/h2,4-5H,3H2,1H3,(H,10,11);1H |
| InChI Key | HMFMEZLIIZJFLL-UHFFFAOYSA-N |
| MDL Number | MFCD27500912 |
| Molecular Formula | C8H10ClNO2 |
| Molecular Weight | 187.6235 |
| SMILES | O=C(O)CC1=CC(C)=CN=C1.[H]Cl |
| Synonyms | 2-(5-methylpyridin-3-yl)acetic acid hydrochloride,
1787905-81-0,
AKOS026727298,
Z1889997399,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.623g/mol |
| Monoisotopic Mass | 187.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number