| CAS Number | 1342973-78-7 |
| Catalog Number | AG01AL79 |
| Chemical Name | 3-(6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acid |
| IUPAC Name | 3-(6-oxopyrimidin-1-yl)propanoic acid |
| InChI | InChI=1S/C7H8N2O3/c10-6-1-3-8-5-9(6)4-2-7(11)12/h1,3,5H,2,4H2,(H,11,12) |
| InChI Key | NHTWRECCLOASMQ-UHFFFAOYSA-N |
| MDL Number | MFCD18883658 |
| Molecular Formula | C7H8N2O3 |
| Molecular Weight | 168.1500 |
| SMILES | OC(CCN1C(=O)C=CN=C1)=O |
| Synonyms | 3-(6-oxo-1,6-dihydropyrimidin-1-yl)propanoic acid,
1342973-78-7,
ZINC82598649,
AKOS013080468,
Z2197092290,
|
| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.152g/mol |
| Monoisotopic Mass | 168.053g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
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