Cas no 190270-92-9 (2-Isopropoxy-5-cyanobenzaldehyde)
190270-92-9 structure
Product Name:2-Isopropoxy-5-cyanobenzaldehyde
CAS No:190270-92-9
MF:C11H11NO2
MW:189.210542917252
CID:2106168
Update Time:2023-08-03
2-Isopropoxy-5-cyanobenzaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 3-formyl-4-isopropoxybenzonitrile
- 2-isopropoxy-5-cyanobenzaldehyde
- GCJSINDVTSYEHZ-UHFFFAOYSA-N
- 5-Cyano-2-isopropoxy-benzaldehyde
- 2-Isopropoxy-5-cyanobenzaldehyde
-
- Inchi： 1S/C11H11NO2/c1-8(2)14-11-4-3-9(6-12)5-10(11)7-13/h3-5,7-8H,1-2H3
- InChI Key： GCJSINDVTSYEHZ-UHFFFAOYSA-N
- SMILES： O(C1C=CC(C#N)=CC=1C=O)C(C)C
Computed Properties
- Exact Mass: 189.079
- Monoisotopic Mass: 189.079
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 241
- 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
- Topological Polar Surface Area: 50.1
2-Isopropoxy-5-cyanobenzaldehyde Related Literature
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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