Cas no 196090-01-4 (Cyclohexane,1-isocyanato-4-methoxy-)
196090-01-4 structure
Product Name:Cyclohexane,1-isocyanato-4-methoxy-
CAS No:196090-01-4
MF:C8H13NO2
MW:155.194322347641
CID:116880
PubChem ID:22250899
Update Time:2025-04-18
Cyclohexane,1-isocyanato-4-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexane,1-isocyanato-4-methoxy-
- Cyclohexane, 1-isocyanato-4-methoxy- (9CI)
- SCHEMBL4054600
- 196090-01-4
- 1-isocyanato-4-methoxycyclohexane
- SCHEMBL4044601
-
- Inchi： 1S/C8H13NO2/c1-11-8-4-2-7(3-5-8)9-6-10/h7-8H,2-5H2,1H3
- InChI Key： MVIXGCMOVSFUBO-UHFFFAOYSA-N
- SMILES： O(C)C1CCC(CC1)N=C=O
Computed Properties
- Exact Mass: 155.09469
- Monoisotopic Mass: 155.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 156
- 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: 2.2
- Topological Polar Surface Area: 38.7?2
Experimental Properties
- PSA: 38.66
Cyclohexane,1-isocyanato-4-methoxy- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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4. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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