4-(4-Oxo-3,4-dihydroquinazolin-2-yl)butanoic acid - CAS 95494-51-2
Catalog: |
BB053285 |
Product Name: |
4-(4-Oxo-3,4-dihydroquinazolin-2-yl)butanoic acid |
CAS: |
95494-51-2 |
Synonyms: |
4-(4-Oxo-3,4-dihydro-quinazolin-2-yl)-butyric acid |
IUPAC Name: | 4-(4-oxo-3H-quinazolin-2-yl)butanoic acid |
Molecular Weight: | 232.23 |
Molecular Formula: | C12H12N2O3 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=O)NC(=N2)CCCC(=O)O |
InChI: | InChI=1S/C12H12N2O3/c15-11(16)7-3-6-10-13-9-5-2-1-4-8(9)12(17)14-10/h1-2,4-5H,3,6-7H2,(H,15,16)(H,13,14,17) |
InChI Key: | IWUFDMAFCDCNMQ-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.4±0.1 g/cm3 |
Appearance: | White Solid |
Complexity: | 352 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.08479225 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.08479225 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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