Cas no 65950-84-7 (Acetic acid, cyanodiazo-, ethyl ester)
65950-84-7 structure
Product Name:Acetic acid, cyanodiazo-, ethyl ester
CAS No:65950-84-7
MF:C5H5N3O2
MW:139.112100362778
CID:397074
PubChem ID:71375311
Update Time:2025-04-19
Acetic acid, cyanodiazo-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Acetic acid, cyanodiazo-, ethyl ester
- 2-cyano-2-diazonio-1-ethoxyethenolate
- ethyl 2-cyano-2-diazoacetate
- 2-Cyano-2-diazonio-1-ethoxyethen-1-olate
- DTXSID40798055
- 65950-84-7
-
- Inchi： 1S/C5H5N3O2/c1-2-10-5(9)4(3-6)8-7/h2H2,1H3
- InChI Key： PXXBOKDQFUVPFZ-UHFFFAOYSA-N
- SMILES： O(C(C(C#N)=[N+]=[N-])=O)CC
Computed Properties
- Exact Mass: 139.03825
- Monoisotopic Mass: 139.038176411g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 231
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 0.9
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 86.49
Acetic acid, cyanodiazo-, ethyl ester 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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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