Cas no 61888-91-3 (Cycloheptene, 3-isocyanato-)
Cycloheptene, 3-isocyanato- structure
Product Name:Cycloheptene, 3-isocyanato-
CAS No:61888-91-3
MF:C8H11NO
MW:137.179042100906
CID:463736
PubChem ID:14556507
Update Time:2025-04-19
Cycloheptene, 3-isocyanato- Chemical and Physical Properties
Names and Identifiers
-
- Cycloheptene, 3-isocyanato-
- 3-isocyanatocycloheptene
- 61888-91-3
- DTXSID90561650
- 3-Isocyanatocyclohept-1-ene
- SCHEMBL10553148
-
- Inchi： 1S/C8H11NO/c10-7-9-8-5-3-1-2-4-6-8/h3,5,8H,1-2,4,6H2
- InChI Key： YIEGGAOYXJUEFN-UHFFFAOYSA-N
- SMILES： O=C=NC1C=CCCCC1
Computed Properties
- Exact Mass: 137.08413
- Monoisotopic Mass: 137.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 168
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Cycloheptene, 3-isocyanato- Related Literature
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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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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
-
Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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5. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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