| CAS Number | 320727-00-2 |
| Catalog Number | AG00CMKG |
| Chemical Name | 2-oxo-1,2,3,4-tetrahydroquinazoline-6-carboxylic acid |
| IUPAC Name | 2-oxo-3,4-dihydro-1H-quinazoline-6-carboxylic acid |
| InChI | InChI=1S/C9H8N2O3/c12-8(13)5-1-2-7-6(3-5)4-10-9(14)11-7/h1-3H,4H2,(H,12,13)(H2,10,11,14) |
| InChI Key | OTVNFOZHKCWFJX-UHFFFAOYSA-N |
| MDL Number | MFCD20641866 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | OC(C1=CC2=C(NC(NC2)=O)C=C1)=O |
| Synonyms | 2-oxo-1,2,3,4-tetrahydro-quinazoline-6-carboxylic acid,
320727-00-2,
SCHEMBL5366326,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number