| CAS Number | 1803581-72-7 |
| Catalog Number | AG01B7L7 |
| Chemical Name | 2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid hydrochloride |
| IUPAC Name | 2-(2-methyl-4-oxoquinazolin-3-yl)acetic acid;hydrochloride |
| InChI | InChI=1S/C11H10N2O3.ClH/c1-7-12-9-5-3-2-4-8(9)11(16)13(7)6-10(14)15;/h2-5H,6H2,1H3,(H,14,15);1H |
| InChI Key | APXOXPMPGGTOPC-UHFFFAOYSA-N |
| MDL Number | MFCD28145489 |
| Molecular Formula | C11H11ClN2O3 |
| Molecular Weight | 254.6696 |
| SMILES | Cl.CC1N(CC(O)=O)C(=O)C2=C(C=CC=C2)N=1 |
| Synonyms | 2-(2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid hydrochloride,
1803581-72-7,
|
| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.67g/mol |
| Monoisotopic Mass | 254.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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