| CAS Number | 1909316-91-1 |
| Catalog Number | AG00J2SF(AGN-PC-0WRAQK) |
| Chemical Name | (2,6-dimethyl-4-pyridinyl)acetic acid hydrochloride |
| IUPAC Name | 2-(2,6-dimethylpyridin-4-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C9H11NO2.ClH/c1-6-3-8(5-9(11)12)4-7(2)10-6;/h3-4H,5H2,1-2H3,(H,11,12);1H |
| InChI Key | AEEXMBVGEJFSPD-UHFFFAOYSA-N |
| MDL Number | MFCD29127442 |
| Molecular Formula | C9H12ClNO2 |
| Molecular Weight | 201.6501 |
| SMILES | N1=C(C)C=C(C=C1C)CC(O)=O.Cl |
| Synonyms | (2,6-Dimethyl-4-pyridinyl)acetic acid hydrochloride,
1909316-91-1,
2-(2,6-Dimethylpyridin-4-yl)acetic acid hydrochloride,
ZX-CM010620,
MFCD29127442,
AKOS030631181,
502508-96-5,
|
| Complexity | 160 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.65g/mol |
| Monoisotopic Mass | 201.056g/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