| CAS Number | 1095822-20-0 |
| Catalog Number | AG00HBJD(AGN-PC-0WAHAP) |
| Chemical Name | Ethyl 2-(4,6-Dihydroxy-5-pyrimidyl)acetate |
| IUPAC Name | ethyl 2-(4-hydroxy-6-oxo-1H-pyrimidin-5-yl)acetate |
| InChI | InChI=1S/C8H10N2O4/c1-2-14-6(11)3-5-7(12)9-4-10-8(5)13/h4H,2-3H2,1H3,(H2,9,10,12,13) |
| InChI Key | CXFWVKQYNKXWNT-UHFFFAOYSA-N |
| MDL Number | MFCD20527459 |
| Molecular Formula | C8H10N2O4 |
| Molecular Weight | 198.1760 |
| SMILES | O=C(OCC)CC1(=C(O)N=CN=C1O) |
| Synonyms | ethyl 2-(4,6-dihydroxypyrimidin-5-yl)acetate,
1095822-20-0,
Ethyl 2-(4,6-Dihydroxy-5-pyrimidyl)acetate,
SCHEMBL2063964,
DTXSID10727054,
CXFWVKQYNKXWNT-UHFFFAOYSA-N,
KS-00002B6W,
ZX-RL000549,
8637AC,
MFCD20527459,
ZINC76818260,
AKOS015996957,
SS-4344,
OR303028,
SY025213,
MFCD20527459 (95%),
Ethyl (4-hydroxy-6-oxo-1,6-dihydropyrimidin-5-yl)acetate,
C8H10N2O4,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.178g/mol |
| Monoisotopic Mass | 198.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 88A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number