Cas no 60110-48-7 (Octahydro-3H-4,1,2-benzoxadiazin-3-one)
60110-48-7 structure
Product Name:Octahydro-3H-4,1,2-benzoxadiazin-3-one
CAS No:60110-48-7
MF:C7H12N2O2
MW:156.182381629944
CID:859920
PubChem ID:322223
Update Time:2025-04-19
Octahydro-3H-4,1,2-benzoxadiazin-3-one Chemical and Physical Properties
Names and Identifiers
-
- Octahydro-3H-4,1,2-benzoxadiazin-3-one
- 1,2,4a,5,6,7,8,8a-octahydrobenzo[e][1,3,4]oxadiazin-3-one
- (4ar,8at)-octahydro-benzo[1,3,4]oxadiazin-3-one
- AC1L85ZK
- AG-G-14892
- CTK5B0995
- NSC278461
-
- Inchi： 1S/C7H12N2O2/c10-7-9-8-5-3-1-2-4-6(5)11-7/h5-6,8H,1-4H2,(H,9,10)
- InChI Key： CWAXWNITFMJFSY-UHFFFAOYSA-N
- SMILES： O1C(NNC2CCCCC12)=O
Computed Properties
- Exact Mass: 156.08996
- Monoisotopic Mass: 156.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.8
- Topological Polar Surface Area: 50.4?2
Experimental Properties
- PSA: 50.36
- LogP: 1.19960
Octahydro-3H-4,1,2-benzoxadiazin-3-one Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Ni-Na Sun,Fengli Qu,Xiaobing Zhang,Shufang Zhang,Jinmao You Analyst, 2015,140, 1827-1831
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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4. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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