Methyl 2-oxo-1,2-dihydroquinazoline-7-carboxylate - CAS 953039-78-6
Catalog: |
BB044480 |
Product Name: |
Methyl 2-oxo-1,2-dihydroquinazoline-7-carboxylate |
CAS: |
953039-78-6 |
Synonyms: |
methyl 2-hydroxyquinazoline-7-carboxylate; 7-Quinazolinecarboxylic acid, 1,2-dihydro-2-oxo-, methyl ester |
IUPAC Name: | methyl 2-oxo-1H-quinazoline-7-carboxylate |
Description: | Methyl 2-oxo-1,2-dihydroquinazoline-7-carboxylate (CAS# 953039-78-6 ) is a useful research chemical. |
Molecular Weight: | 204.18 |
Molecular Formula: | C10H8N2O3 |
Canonical SMILES: | COC(=O)C1=CC2=C(C=C1)C=NC(=O)N2 |
InChI: | InChI=1S/C10H8N2O3/c1-15-9(13)6-2-3-7-5-11-10(14)12-8(7)4-6/h2-5H,1H3,(H,11,12,14) |
InChI Key: | LVMZQYONBZUVBZ-UHFFFAOYSA-N |
Purity: | ≥ 97 % |
Density: | 1.39±0.1 g/cm3 |
Complexity: | 314 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.05349212 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.05349212 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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