| CAS Number | 1092460-40-6 |
| Catalog Number | AG00HBCL(AGN-PC-0WQYFL) |
| Chemical Name | Methyl 3-(4,6-dihydroxypyrimidin-5-yl)butanoate |
| IUPAC Name | methyl 3-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)butanoate |
| InChI | InChI=1S/C9H12N2O4/c1-5(3-6(12)15-2)7-8(13)10-4-11-9(7)14/h4-5H,3H2,1-2H3,(H2,10,11,13,14) |
| InChI Key | XLADYKVTZFVWDT-UHFFFAOYSA-N |
| MDL Number | MFCD11501883 |
| Molecular Formula | C9H12N2O4 |
| Molecular Weight | 212.2026 |
| SMILES | COC(=O)CC(C)C1=C(O)N=CN=C1O |
| Synonyms | METHYL 3-(4,6-DIHYDROXYPYRIMIDIN-5-YL)BUTANOATE,
1092460-40-6,
Methyl 3-(4,6-Dihydroxy-5-pyrimidyl)butanoate,
SCHEMBL1662260,
XLADYKVTZFVWDT-UHFFFAOYSA-N,
AR2849,
MFCD11501883,
AS-45459,
SY038680,
FT-0732398,
MFCD11501883 (95%),
methyl 3-(1,6-dihydro-4-hydroxy-6-oxopyrimidin-5-yl)butanoate,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.205g/mol |
| Monoisotopic Mass | 212.08g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number