| CAS Number | 1216060-16-0 |
| Catalog Number | AG01APKJ(AGN-PC-0WCNLU) |
| Chemical Name | 2-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-1-yl)acetic acid |
| IUPAC Name | 2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetic acid |
| InChI | InChI=1S/C8H10N2O3/c1-5-6(2)9-4-10(8(5)13)3-7(11)12/h4H,3H2,1-2H3,(H,11,12) |
| InChI Key | BKIDIHQOJPDMDR-UHFFFAOYSA-N |
| MDL Number | MFCD12402758 |
| Molecular Formula | C8H10N2O3 |
| Molecular Weight | 182.1766 |
| SMILES | CC1=C(C)C(=O)N(CC(O)=O)C=N1 |
| Synonyms | (4,5-dimethyl-6-oxopyrimidin-1(6H)-yl)acetic acid,
1216060-16-0,
ZINC40351420,
AKOS015956300,
MCULE-6096188778,
BB 0239133,
L-3870,
(4,5-dimethyl-6-oxopyrimidin-1-yl)acetic acid,
(4,5-Dimethyl-6-oxo-6H-pyrimidin-1-yl)-aceti c acid,
F2135-0523,
|
| Complexity | 317 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.179g/mol |
| Monoisotopic Mass | 182.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number