Cas no 90921-32-7 (Benzonitrile,3-hydroxy-4-(1-methylethyl)-)
90921-32-7 structure
Product Name:Benzonitrile,3-hydroxy-4-(1-methylethyl)-
CAS No:90921-32-7
MF:C10H11NO
MW:161.200442552567
CID:798970
PubChem ID:45096146
Update Time:2025-04-19
Benzonitrile,3-hydroxy-4-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile,3-hydroxy-4-(1-methylethyl)-
- 3-hydroxy-4-propan-2-ylbenzonitrile
- Benzonitrile, 3-hydroxy-4-isopropyl- (7CI)
- SCHEMBL24594978
- 3-HYDROXY-4-(PROPAN-2-YL)BENZONITRILE
- 3-Hydroxy-4-isopropyl-benzonitril
- MB22460
- 90921-32-7
-
- Inchi： 1S/C10H11NO/c1-7(2)9-4-3-8(6-11)5-10(9)12/h3-5,7,12H,1-2H3
- InChI Key： BSZVFYXOLIBPPN-UHFFFAOYSA-N
- SMILES： OC1C=C(C#N)C=CC=1C(C)C
Computed Properties
- Exact Mass: 161.084
- Monoisotopic Mass: 161.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 191
- 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
- Topological Polar Surface Area: 44A^2
- XLogP3: 2.4
Benzonitrile,3-hydroxy-4-(1-methylethyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
90921-32-7 (Benzonitrile,3-hydroxy-4-(1-methylethyl)-) Related Products
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