Cas no 408338-59-0 (Propanenitrile,3-(2-formylphenoxy)-)
408338-59-0 structure
Product Name:Propanenitrile,3-(2-formylphenoxy)-
CAS No:408338-59-0
MF:C10H9NO2
MW:175.183962583542
CID:326194
Update Time:2024-01-28
Propanenitrile,3-(2-formylphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Propanenitrile,3-(2-formylphenoxy)-
- Propanenitrile, 3-(2-formylphenoxy)- (9CI)
- Propanenitrile, 3-(2-formylphenoxy)-
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- Inchi： 1S/C10H9NO2/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-2,4-5,8H,3,7H2
- InChI Key： GEZCVFLHVFCIJK-UHFFFAOYSA-N
- SMILES： C(#N)CCOC1=CC=CC=C1C=O
Computed Properties
- Exact Mass: 175.063
- Monoisotopic Mass: 175.063
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 206
- 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: 1.4
- Topological Polar Surface Area: 50.1A^2
Propanenitrile,3-(2-formylphenoxy)- Related Literature
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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