| CAS Number | 186454-69-3 |
| Catalog Number | AG00B17G(AGN-PC-0O5J63) |
| Chemical Name | 3H,4H-Furo[2,3-d]pyrimidin-4-one |
| IUPAC Name | 3H-furo[2,3-d]pyrimidin-4-one |
| InChI | InChI=1S/C6H4N2O2/c9-5-4-1-2-10-6(4)8-3-7-5/h1-3H,(H,7,8,9) |
| InChI Key | GBRNPUKAAYSNOS-UHFFFAOYSA-N |
| MDL Number | MFCD18834319 |
| Molecular Formula | C6H4N2O2 |
| Molecular Weight | 136.1082 |
| SMILES | O=C1NC=NC2=C1C=CO2 |
| Synonyms | Furo[2,3-d]pyrimidin-4(3H)-one,
186454-69-3,
3H,4H-furo[2,3-d]pyrimidin-4-one,
furo[2,3-d]pyrimidin-4-one,
SCHEMBL2976500,
SCHEMBL10435709,
CTK0H1322,
CTK8H3806,
DTXSID40596472,
MFCD18834319,
ZINC45787198,
AKOS006380675,
AS-36146,
Furo[2,3-d]pyrimidin-4(1H)-one (9CI),
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| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.11g/mol |
| Monoisotopic Mass | 136.027g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 54.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number