Cas no 358388-37-1 (Benzonitrile, 2-ethoxy-5-hydroxy- (9CI))
358388-37-1 structure
Product Name:Benzonitrile, 2-ethoxy-5-hydroxy- (9CI)
CAS No:358388-37-1
MF:C9H9NO2
MW:163.173262357712
CID:1023189
PubChem ID:21973177
Update Time:2025-04-20
Benzonitrile, 2-ethoxy-5-hydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
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- Benzonitrile, 2-ethoxy-5-hydroxy- (9CI)
- DB-285695
- 358388-37-1
- OFBPPUWWTOVGCT-UHFFFAOYSA-N
- SCHEMBL5901353
- Ethoxy-5-hydroxybenzonitrile
- BENZONITRILE, 2-ETHOXY-5-HYDROXY-
-
- Inchi: 1S/C9H9NO2/c1-2-12-9-4-3-8(11)5-7(9)6-10/h3-5,11H,2H2,1H3
- InChI Key: OFBPPUWWTOVGCT-UHFFFAOYSA-N
- SMILES: O(CC)C1C=CC(=CC=1C#N)O
Computed Properties
- Exact Mass: 163.063328530g/mol
- Monoisotopic Mass: 163.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 184
- 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: 1.6
- Topological Polar Surface Area: 53.2?2
Benzonitrile, 2-ethoxy-5-hydroxy- (9CI) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
358388-37-1 (Benzonitrile, 2-ethoxy-5-hydroxy- (9CI)) Related Products
- 6609-57-0(2-Ethoxybenzonitrile)
- 313655-45-7(2-(2-Hydroxyethoxy)-benzonitrile)
- 53078-69-6(2-Methoxy-4-methylbenzonitrile)
- 6609-58-1(2-Propoxybenzonitrile)
- 5312-97-0(2,5-Dimethoxybenzonitrile)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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