CAS
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Specification
The molecular formula is C11H10N2O3.
The molecular weight is 218.21 g/mol.
The IUPAC name is 3-(4-oxoquinazolin-3-yl)propanoic acid.
The InChI is InChI=1S/C11H10N2O3/c14-10(15)5-6-13-7-12-9-4-2-1-3-8(9)11(13)16/h1-4,7H,5-6H2,(H,14,15).
The InChIKey is AMEGJBZWDKOWDQ-UHFFFAOYSA-N.
The canonical SMILES is C1=CC=C2C(=C1)C(=O)N(C=N2)CCC(=O)O.
The CAS number is 25818-88-6.
The European Community (EC) number is 865-235-0.
The ChEMBL ID is CHEMBL1400834.
The XLogP3 value is 0.2.