Cas no 88975-95-5 (Cyanic acid, 2-(cyanomethyl)phenyl ester)
88975-95-5 structure
Product Name:Cyanic acid, 2-(cyanomethyl)phenyl ester
CAS No:88975-95-5
MF:C9H6N2O
MW:158.15674161911
CID:617376
PubChem ID:71321179
Update Time:2025-04-19
Cyanic acid, 2-(cyanomethyl)phenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Cyanic acid, 2-(cyanomethyl)phenyl ester
- [2-(cyanomethyl)phenyl] cyanate
- DTXSID00751025
- CS-0458602
- 2-(2-cyanatophenyl)acetonitrile
- 2-(Cyanomethyl)phenyl cyanate
- 88975-95-5
-
- Inchi： 1S/C9H6N2O/c10-6-5-8-3-1-2-4-9(8)12-7-11/h1-4H,5H2
- InChI Key： VTFSLUHREMFJGN-UHFFFAOYSA-N
- SMILES： O(C#N)C1C=CC=CC=1CC#N
Computed Properties
- Exact Mass: 158.048012819g/mol
- Monoisotopic Mass: 158.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- 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: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 56.8?2
Cyanic acid, 2-(cyanomethyl)phenyl ester Related Literature
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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