Cas no 39703-76-9 (4H-1,2-Oxazine, 5,6-dihydro-3-methyl-)
39703-76-9 structure
Product Name:4H-1,2-Oxazine, 5,6-dihydro-3-methyl-
CAS No:39703-76-9
MF:C5H9NO
MW:99.1310613155365
CID:1510636
PubChem ID:12307804
Update Time:2025-04-21
4H-1,2-Oxazine, 5,6-dihydro-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 4H-1,2-Oxazine, 5,6-dihydro-3-methyl-
- 3-methyl-5,6-dihydro-4H-oxazine
- 39703-76-9
- DTXSID00487019
- 2-oxazine methyl ester
-
- Inchi： 1S/C5H9NO/c1-5-3-2-4-7-6-5/h2-4H2,1H3
- InChI Key： KKCCXLHUHDRXPE-UHFFFAOYSA-N
- SMILES： O1CCCC(C)=N1
Computed Properties
- Exact Mass: 99.06847
- Monoisotopic Mass: 99.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 88.1
- 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: 0.5
- Topological Polar Surface Area: 21.6?2
Experimental Properties
- PSA: 21.59
4H-1,2-Oxazine, 5,6-dihydro-3-methyl- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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