| CAS Number | 1322605-11-7 |
| Catalog Number | AG00HSMQ(AGN-PC-0WCVNB) |
| Chemical Name | 2-(6-Hydroxy-2-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid |
| IUPAC Name | 2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)acetic acid |
| InChI | InChI=1S/C11H10N2O4/c1-6-12-9-3-2-7(14)4-8(9)11(17)13(6)5-10(15)16/h2-4,14H,5H2,1H3,(H,15,16) |
| InChI Key | JKCTUFDANZNKET-UHFFFAOYSA-N |
| MDL Number | MFCD19691728 |
| Molecular Formula | C11H10N2O4 |
| Molecular Weight | 234.2081 |
| SMILES | CC1N(CC(O)=O)C(=O)C2=C(C=CC(=C2)O)N=1 |
| Synonyms | 1322605-11-7,
(6-hydroxy-2-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid,
2-(6-hydroxy-2-methyl-4-oxoquinazolin-3(4H)-yl)acetic acid,
2-(6-hydroxy-2-methyl-4-oxo-3,4-dihydroquinazolin-3-yl)acetic acid,
ALBB-028419,
BBL033053,
MFCD19691728,
STL373018,
ZINC66442577,
AKOS015955943,
MCULE-8831221633,
NS-03104,
3(4H)-quinazolineacetic acid, 6-hydroxy-2-methyl-4-oxo-,
2-(6-hydroxy-2-methyl-4-oxoquinazolin-3-yl)acetic acid,
|
| Complexity | 380 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.211g/mol |
| Monoisotopic Mass | 234.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 90.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number