Cas no 538342-37-9 (4-(Cyanomethyl)-3-hydroxybenzonitrile)
538342-37-9 structure
Product Name:4-(Cyanomethyl)-3-hydroxybenzonitrile
CAS No:538342-37-9
MF:C9H6N2O
MW:158.15674161911
CID:939222
PubChem ID:45083265
Update Time:2025-04-19
4-(Cyanomethyl)-3-hydroxybenzonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-(cyanomethyl)-3-hydroxybenzonitrile
- Benzeneacetonitrile, 4-cyano-2-hydroxy- (9CI)
- 538342-37-9
- DTXSID70665403
- 4-(Cyanomethyl)-3-hydroxybenzonitrile
-
- Inchi： 1S/C9H6N2O/c10-4-3-8-2-1-7(6-11)5-9(8)12/h1-2,5,12H,3H2
- InChI Key： XJMWPVOVIUETLM-UHFFFAOYSA-N
- SMILES： OC1C=C(C#N)C=CC=1CC#N
Computed Properties
- Exact Mass: 158.048012819g/mol
- Monoisotopic Mass: 158.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 244
- 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: 0.9
- Topological Polar Surface Area: 67.8?2
4-(Cyanomethyl)-3-hydroxybenzonitrile Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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