1,3-Dioxolo[4,5-f]quinazolin-7(6H)-one - CAS 98216-21-8
Catalog: |
BB044482 |
Product Name: |
1,3-Dioxolo[4,5-f]quinazolin-7(6H)-one |
CAS: |
98216-21-8 |
Synonyms: |
5,6-methylenedioxy-2(1H)-quinazolinone; [1,3]Dioxolo[4,5-f]quinazolin-7(6H)-one |
IUPAC Name: | 6H-[1,3]dioxolo[4,5-f]quinazolin-7-one |
Description: | 1,3-Dioxolo[4,5-f]quinazolin-7(6H)-one (CAS# 98216-21-8 ) is a useful research chemical. |
Molecular Weight: | 190.16 |
Molecular Formula: | C9H6N2O3 |
Canonical SMILES: | C1OC2=C(O1)C3=C(C=C2)NC(=O)N=C3 |
InChI: | InChI=1S/C9H6N2O3/c12-9-10-3-5-6(11-9)1-2-7-8(5)14-4-13-7/h1-3H,4H2,(H,10,11,12) |
InChI Key: | NGFITWWVVUSDRX-UHFFFAOYSA-N |
Purity: | ≥ 95 % |
Density: | 1.70±0.1 g/cm3 (Predicted) |
Complexity: | 292 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 190.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 190.03784206 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 59.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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