| CAS Number | 150583-44-1 |
| Catalog Number | AG01BV0T(AGN-PC-00OOMV) |
| Chemical Name | 3-Amino-4-hydroxycyclobut-3-ene-1,2-dione |
| IUPAC Name | 3-amino-4-hydroxycyclobut-3-ene-1,2-dione |
| InChI | InChI=1S/C4H3NO3/c5-1-2(6)4(8)3(1)7/h6H,5H2 |
| InChI Key | DXFAKICEAMVVTD-UHFFFAOYSA-N |
| MDL Number | MFCD18083855 |
| Molecular Formula | C4H3NO3 |
| Molecular Weight | 113.0715 |
| SMILES | NC1C(=O)C(=O)C=1O |
| Synonyms | 3-amino-4-hydroxycyclobut-3-ene-1,2-dione,
150583-44-1,
SCHEMBL1208018,
AKOS006363913,
ZINC100336074,
3-Amino-4-hydroxy-3-cyclobutene-1,2-dione,
3-hydroxy-4-amino-3-cyclobutene-1,2-dione,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.011g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.072g/mol |
| Monoisotopic Mass | 113.011g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 80.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number