| CAS Number | 1222199-29-2 |
| Catalog Number | AG01BF9T |
| Chemical Name | 2-(Pyrimidin-5-yl)acetic acid hydrochloride |
| IUPAC Name | 2-pyrimidin-5-ylacetic acid;hydrochloride |
| InChI | InChI=1S/C6H6N2O2.ClH/c9-6(10)1-5-2-7-4-8-3-5;/h2-4H,1H2,(H,9,10);1H |
| InChI Key | CQLBGLUNQXPKSB-UHFFFAOYSA-N |
| MDL Number | MFCD28118536 |
| Molecular Formula | C6H7ClN2O2 |
| Molecular Weight | 174.5850 |
| SMILES | Cl.OC(CC1=CN=CN=C1)=O |
| Synonyms | 2-(pyrimidin-5-yl)acetic acid hydrochloride,
1222199-29-2,
SCHEMBL1373539,
CQLBGLUNQXPKSB-UHFFFAOYSA-N,
AKOS026744815,
F8888-6563,
Z1889902548,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.584g/mol |
| Monoisotopic Mass | 174.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number