Cas no 58758-66-0 (Quinazoline, 2-methyl-, 3-oxide)
58758-66-0 structure
Product Name:Quinazoline, 2-methyl-, 3-oxide
CAS No:58758-66-0
MF:C9H8N2O
MW:160.17262172699
CID:340985
PubChem ID:12450733
Update Time:2025-04-19
Quinazoline, 2-methyl-, 3-oxide Chemical and Physical Properties
Names and Identifiers
-
- Quinazoline, 2-methyl-, 3-oxide
- 2-methyl-3-oxidoquinazolin-3-ium
- SCHEMBL5337070
- 2-Methyl-3-oxo-3lambda~5~-quinazoline
- 58758-66-0
- DTXSID50498817
-
- Inchi： 1S/C9H8N2O/c1-7-10-9-5-3-2-4-8(9)6-11(7)12/h2-6H,1H3
- InChI Key： TWMCPKMLXDZUQU-UHFFFAOYSA-N
- SMILES： [O-][N+]1C=C2C=CC=CC2=NC=1C
Computed Properties
- Exact Mass: 160.06374
- Monoisotopic Mass: 160.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 163
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 38.4?2
Experimental Properties
- PSA: 39.83
Quinazoline, 2-methyl-, 3-oxide Related Literature
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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