| CAS Number | 1171764-46-7 |
| Catalog Number | AG019URY(AGN-PC-0WO2RA) |
| Chemical Name | 3-(2-Oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-(2-oxopyrimidin-1-yl)propanoic acid;hydrochloride |
| InChI | InChI=1S/C7H8N2O3.ClH/c10-6(11)2-5-9-4-1-3-8-7(9)12;/h1,3-4H,2,5H2,(H,10,11);1H |
| InChI Key | AVDPBFOBSNQKKL-UHFFFAOYSA-N |
| MDL Number | MFCD11857932 |
| Molecular Formula | C7H9ClN2O3 |
| Molecular Weight | 204.6110 |
| SMILES | Cl.OC(CCN1C(=O)N=CC=C1)=O |
| Synonyms | 3-(2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride,
1171764-46-7,
AC1Q3EZU,
CTK7J4130,
AKOS026726990,
MCULE-2479801137,
NE39519,
EN300-42636,
Z432066996,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.61g/mol |
| Monoisotopic Mass | 204.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number