Cas no 933-45-9 (Cyclohexanecarbonitrile, 1-hydroxy-4-methyl-)
933-45-9 structure
Product Name:Cyclohexanecarbonitrile, 1-hydroxy-4-methyl-
CAS No:933-45-9
MF:C8H13NO
MW:139.194922208786
CID:2191891
Update Time:2023-08-07
Cyclohexanecarbonitrile, 1-hydroxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Hydroxy-4-methylcyclohexanecarbonitrile
- Cyclohexanecarbonitrile, 1-hydroxy-4-methyl-
- ZZNWDVTYICRGJF-UHFFFAOYSA-N
- 4-methyl-1-hydroxycyclohexanecarbonitrile
- 1-Hydroxy-4beta-methylcyclohexane-1beta-carbonitrile
- 1-Hydroxy-4beta-methylcyclohexane-1alpha-carbonitrile
-
- Inchi： 1S/C8H13NO/c1-7-2-4-8(10,6-9)5-3-7/h7,10H,2-5H2,1H3
- InChI Key： ZZNWDVTYICRGJF-UHFFFAOYSA-N
- SMILES： OC1(C#N)CCC(C)CC1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 159
- Topological Polar Surface Area: 44
Cyclohexanecarbonitrile, 1-hydroxy-4-methyl- Related Literature
-
Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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