Cas no 18859-06-8 ( )
structure
Product Name:
CAS No:18859-06-8
MF:C16H15NO2
MW:253.295804262161
CID:907534
PubChem ID:309995
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-(3-phenoxypropoxy)benzonitrile
- 4-(3-Phenoxy-propoxy)-benzonitril
- 4-(3-phenoxy-propoxy)-benzonitrile
- 4-(3-Phenoxy-propyloxy)-benzonitril
- AC1L7GAY
- cyanophenol
- NSC212472
- 18859-06-8
- NSC-212472
- AKOS008873505
- DTXSID60309647
-
-
- Inchi： 1S/C16H15NO2/c17-13-14-7-9-16(10-8-14)19-12-4-11-18-15-5-2-1-3-6-15/h1-3,5-10H,4,11-12H2
- InChI Key： SCDIVQQIJXIFKD-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=CC=1)CCCOC1C=CC=CC=1
Computed Properties
- Exact Mass: 253.11035
- Monoisotopic Mass: 253.110278721g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 282
- 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: 3.6
- Topological Polar Surface Area: 42.2?2
Experimental Properties
- PSA: 42.25
Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
-
Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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