| CAS Number | 1189670-48-1 |
| Catalog Number | AG019F0J |
| Chemical Name | ethyl 2-{5,6-dimethyl-4-oxo-3H,4H-furo[2,3-d]pyrimidin-3-yl}acetate |
| IUPAC Name | ethyl 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3-yl)acetate |
| InChI | InChI=1S/C12H14N2O4/c1-4-17-9(15)5-14-6-13-11-10(12(14)16)7(2)8(3)18-11/h6H,4-5H2,1-3H3 |
| InChI Key | YPEALRPZMPYFES-UHFFFAOYSA-N |
| MDL Number | MFCD27106099 |
| Molecular Formula | C12H14N2O4 |
| Molecular Weight | 250.2506 |
| SMILES | CCOC(=O)Cn1cnc2oc(C)c(C)c2c1=O |
| Synonyms | 1189670-48-1,
Furo[2,3-d]pyrimidine-3(4H)-acetic acid, 5,6-dimethyl-4-oxo-, ethyl ester,
Ethyl 2-(5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3(4H)-yl)acetate,
ethyl 2-[5,6-dimethyl-4-oxofuro[2,3-d]pyrimidin-3(4H)-yl]acetate,
HMS3482M08,
ZINC35378259,
AKOS021790684,
MCULE-9311449280,
CS-0060729,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.254g/mol |
| Monoisotopic Mass | 250.095g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number