Cas no 51983-62-1 (Carbonocyanidic acid, ethyl ester, N-oxide)
51983-62-1 structure
Product Name:Carbonocyanidic acid, ethyl ester, N-oxide
CAS No:51983-62-1
MF:C4H5NO3
MW:115.087401151657
CID:360935
PubChem ID:11116029
Update Time:2025-04-19
Carbonocyanidic acid, ethyl ester, N-oxide Chemical and Physical Properties
Names and Identifiers
-
- Carbonocyanidic acid, ethyl ester, N-oxide
- ethyl oxycyanoformate
- DTXSID00455652
- Ethoxycarbonylformonitrile oxide
- SCHEMBL7973007
- 51983-62-1
- ethyl cyanoformate n-oxide
-
- Inchi： 1S/C4H5NO3/c1-2-8-4(6)3-5-7/h2H2,1H3
- InChI Key： QLLHHGKVKUKKHH-UHFFFAOYSA-N
- SMILES： O(C(C#[N+][O-])=O)CC
Computed Properties
- Exact Mass: 115.02695
- Monoisotopic Mass: 115.026943022g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 140
- 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: 0.1
- Topological Polar Surface Area: 57?2
Experimental Properties
- PSA: 53.72
Carbonocyanidic acid, ethyl ester, N-oxide Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Yu Long,Bing Yuan,Jianrui Niu,Xin Tong,Jiantai Ma New J. Chem., 2015,39, 1179-1185
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Bo Chen,Xiaotong Shen,Zhangfeng Luo,Di Cai,Changjing Chen,Changwei Zhang,Peiyong Qin,Hui Cao,Tianwei Tan RSC Adv., 2018,8, 25602-25610
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