Cas no 16728-57-7 (5-Phenoxypentanenitrile)
5-Phenoxypentanenitrile structure
Product Name:5-Phenoxypentanenitrile
CAS No:16728-57-7
MF:C12H15NO
MW:189.253603219986
CID:1095096
PubChem ID:12423181
Update Time:2025-04-20
5-Phenoxypentanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 5-Phenoxypentanenitrile
- A1-45630
- 16728-57-7
- DTXSID301314594
- SCHEMBL11799127
- 6-phenoxyhexanenitrile
- Hexanenitrile, 6-phenoxy-
-
- Inchi： 1S/C12H15NO/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-5,8-9H,1-2,6-7,11H2
- InChI Key： KIJOAXLVUWBNJY-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)CCCCCC#N
Computed Properties
- Exact Mass: 189.115364102g/mol
- Monoisotopic Mass: 189.115364102g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 6
- Complexity: 176
- 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: 2.7
- Topological Polar Surface Area: 33?2
5-Phenoxypentanenitrile Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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