| CAS Number | 860084-48-6 |
| Catalog Number | AG019LOC |
| Chemical Name | 2-(2-Methyl-4-oxoquinazolin-3(4h)-yl)propanoic acid |
| IUPAC Name | 2-(2-methyl-4-oxoquinazolin-3-yl)propanoic acid |
| InChI | InChI=1S/C12H12N2O3/c1-7(12(16)17)14-8(2)13-10-6-4-3-5-9(10)11(14)15/h3-7H,1-2H3,(H,16,17) |
| InChI Key | VLQZTHQZSBGXIJ-UHFFFAOYSA-N |
| MDL Number | MFCD07475558 |
| Molecular Formula | C12H12N2O3 |
| Molecular Weight | 232.2353 |
| SMILES | CC(N1C(=O)C2=C(C=CC=C2)N=C1C)C(O)=O |
| Synonyms | 2-(2-methyl-4-oxoquinazolin-3(4H)-yl)propanoic acid,
2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)propanoic acid,
Z327330246,
860084-48-6,
AC1Q2BDW,
CTK7I4654,
AKOS002796927,
AKOS016117359,
MCULE-4231011382,
NE62617,
EN300-31952,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.239g/mol |
| Monoisotopic Mass | 232.085g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number