Cas no 172419-44-2 (7-Oxa-2-azabicyclo[4.1.0]hepta-1,3,5-triene)
![7-Oxa-2-azabicyclo[4.1.0]hepta-1,3,5-triene structure](https://ossimg.kuujia.com/scimg/172500/172419-44-2x500.png)
172419-44-2 structure
Product Name:7-Oxa-2-azabicyclo[4.1.0]hepta-1,3,5-triene
CAS No:172419-44-2
MF:C5H3NO
MW:93.0834209918976
CID:111496
PubChem ID:22252245
Update Time:2025-04-18
7-Oxa-2-azabicyclo[4.1.0]hepta-1,3,5-triene Chemical and Physical Properties
Names and Identifiers
-
- 7-Oxa-2-azabicyclo[4.1.0]hepta-1,3,5-triene
- 7-oxa-5-azabicyclo[4.1.0]hepta-1(6),2,4-triene
- 7-Oxa-2-azabicyclo[4.1.0]hepta-1,3,5-triene(9CI)
- DTXSID00623910
- pyridine ether
- 172419-44-2
- 7-OXA-2-AZABICYCLO[4.1.0]HEPTA-1(6),2,4-TRIENE
-
- Inchi： 1S/C5H3NO/c1-2-4-5(7-4)6-3-1/h1-3H
- InChI Key： CXVSULTXGLIXRN-UHFFFAOYSA-N
- SMILES： O1C2=C1C=CC=N2
Computed Properties
- Exact Mass: 93.02149
- Monoisotopic Mass: 93.021463719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 84.1
- 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
- Topological Polar Surface Area: 25.4?2
Experimental Properties
- PSA: 25.42
7-Oxa-2-azabicyclo[4.1.0]hepta-1,3,5-triene Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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