Cas no 247569-96-6 (Benzonitrile, 3-methoxy-4-(2-methoxyethoxy)-)
247569-96-6 structure
Product Name:Benzonitrile, 3-methoxy-4-(2-methoxyethoxy)-
CAS No:247569-96-6
MF:C11H13NO3
MW:207.225823163986
CID:1422767
PubChem ID:11499435
Update Time:2025-04-20
Benzonitrile, 3-methoxy-4-(2-methoxyethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzonitrile, 3-methoxy-4-(2-methoxyethoxy)-
- 3-methoxy-4-(2-methoxyethoxy)benzonitrile
- AKOS000187377
- JHKCIZGBBQYNEE-UHFFFAOYSA-N
- A1-39262
- SCHEMBL5648357
- 247569-96-6
-
- Inchi： 1S/C11H13NO3/c1-13-5-6-15-10-4-3-9(8-12)7-11(10)14-2/h3-4,7H,5-6H2,1-2H3
- InChI Key： JHKCIZGBBQYNEE-UHFFFAOYSA-N
- SMILES： O(CCOC)C1C=CC(C#N)=CC=1OC
Computed Properties
- Exact Mass: 385.17519
- Monoisotopic Mass: 207.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 223
- 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: 51.5?2
Experimental Properties
- PSA: 111.41
Benzonitrile, 3-methoxy-4-(2-methoxyethoxy)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
247569-96-6 (Benzonitrile, 3-methoxy-4-(2-methoxyethoxy)-) Related Products
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- 60758-87-4(3,4-Diethoxybenzonitrile)
- 60758-85-2(3-METHOXY-4-PROPOXYBENZONITRILE)
- 80407-67-6(3-(2-Methoxyethoxy)benzonitrile)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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