Cas no 66696-04-6 (Anthracene, tetradecahydro-9,10-diisocyanato-)
66696-04-6 structure
Product Name:Anthracene, tetradecahydro-9,10-diisocyanato-
CAS No:66696-04-6
MF:C16H22N2O2
MW:274.358084201813
CID:388355
PubChem ID:71369116
Update Time:2025-04-19
Anthracene, tetradecahydro-9,10-diisocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Anthracene, tetradecahydro-9,10-diisocyanato-
- 9,10-diisocyanato-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
- DTXSID80792153
- 66696-04-6
- 9,10-Diisocyanatotetradecahydroanthracene
-
- Inchi： 1S/C16H22N2O2/c19-9-17-15-11-5-1-2-6-12(11)16(18-10-20)14-8-4-3-7-13(14)15/h11-16H,1-8H2
- InChI Key： OIASMHLGWDUGCS-UHFFFAOYSA-N
- SMILES： O=C=NC1C2CCCCC2C(C2CCCCC21)N=C=O
Computed Properties
- Exact Mass: 274.168127949g/mol
- Monoisotopic Mass: 274.168127949g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 385
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 4
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.8
- Topological Polar Surface Area: 58.9?2
Anthracene, tetradecahydro-9,10-diisocyanato- Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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