Cas no 61711-82-8 (Acetonitrile, (3,5-dimethoxyphenoxy)-)
61711-82-8 structure
Product Name:Acetonitrile, (3,5-dimethoxyphenoxy)-
CAS No:61711-82-8
MF:C10H11NO3
MW:193.199242830276
CID:468984
PubChem ID:12298881
Update Time:2025-04-19
Acetonitrile, (3,5-dimethoxyphenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Acetonitrile, (3,5-dimethoxyphenoxy)-
- 2-(3,5-dimethoxyphenoxy)acetonitrile
- AKOS008952344
- SCHEMBL11553427
- 61711-82-8
- AGN-PC-0NIGFT
- DTXSID80486085
-
- Inchi： 1S/C10H11NO3/c1-12-8-5-9(13-2)7-10(6-8)14-4-3-11/h5-7H,4H2,1-2H3
- InChI Key： MCCNUMVNLROOLM-UHFFFAOYSA-N
- SMILES： O(CC#N)C1C=C(C=C(C=1)OC)OC
Computed Properties
- Exact Mass: 193.07393
- Monoisotopic Mass: 193.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 199
- 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: 1.6
- Topological Polar Surface Area: 51.5?2
Experimental Properties
- PSA: 51.48
Acetonitrile, (3,5-dimethoxyphenoxy)- Related Literature
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1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Riccardo Spezia,Stefan Knecht,Benedetta Mennucci Phys. Chem. Chem. Phys., 2017,19, 17156-17166
61711-82-8 (Acetonitrile, (3,5-dimethoxyphenoxy)-) Related Products
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