Cas no 87226-86-6 ( )
structure
Product Name:
CAS No:87226-86-6
MF:C17H14N2O2
MW:278.305263996124
CID:992359
PubChem ID:300438
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 2-[3-(2-cyanophenoxy)propoxy]benzonitrile
- 87226-86-6
- Z57685258
- NSC174856
- NSC-174856
- AKOS001419069
- DTXSID40306275
-
-
- Inchi： 1S/C17H14N2O2/c18-12-14-6-1-3-8-16(14)20-10-5-11-21-17-9-4-2-7-15(17)13-19/h1-4,6-9H,5,10-11H2
- InChI Key： OKXRRZBGHCRYLH-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1C#N)CCCOC1C=CC=CC=1C#N
Computed Properties
- Exact Mass: 278.105527694g/mol
- Monoisotopic Mass: 278.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 368
- 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: 3.4
- Topological Polar Surface Area: 66?2
Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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