Cas no 59477-63-3 (Cyclohexene, 4-isocyanato-1-methyl-)
59477-63-3 structure
Product Name:Cyclohexene, 4-isocyanato-1-methyl-
CAS No:59477-63-3
MF:C8H11NO
MW:137.179042100906
CID:338540
PubChem ID:21656922
Update Time:2025-04-19
Cyclohexene, 4-isocyanato-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexene, 4-isocyanato-1-methyl-
- 4-isocyanato-1-methylcyclohexene
- 59477-63-3
- DTXSID00616625
- 4-Isocyanato-1-methylcyclohex-1-ene
-
- Inchi： 1S/C8H11NO/c1-7-2-4-8(5-3-7)9-6-10/h2,8H,3-5H2,1H3
- InChI Key： BOMDTEZQMUQCAI-UHFFFAOYSA-N
- SMILES： O=C=NC1CC=C(C)CC1
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: 189
- 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: 2.5
- Topological Polar Surface Area: 29.4?2
Experimental Properties
- PSA: 29.43
Cyclohexene, 4-isocyanato-1-methyl- Related Literature
-
Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
59477-63-3 (Cyclohexene, 4-isocyanato-1-methyl-) Related Products
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