Cas no 58402-45-2 (7-Ethoxyisoquinoline-1-carbaldehyde)
58402-45-2 structure
Product Name:7-Ethoxyisoquinoline-1-carbaldehyde
CAS No:58402-45-2
MF:C12H11NO2
MW:201.221243143082
CID:1017953
PubChem ID:21417517
Update Time:2024-02-29
7-Ethoxyisoquinoline-1-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 1-Isoquinolinecarboxaldehyde,7-ethoxy-(9CI)
- 7-ethoxyisoquinoline-1-carbaldehyde
- 7-Ethoxyisoquinoline-1-carbaldehyde
-
- Inchi： 1S/C12H11NO2/c1-2-15-10-4-3-9-5-6-13-12(8-14)11(9)7-10/h3-8H,2H2,1H3
- InChI Key： MUXWFTPQVINXHW-UHFFFAOYSA-N
- SMILES： O(CC)C1C=CC2C=CN=C(C=O)C=2C=1
Computed Properties
- Exact Mass: 201.078978594g/mol
- Monoisotopic Mass: 201.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 220
- 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: 2.2
- Topological Polar Surface Area: 39.2
7-Ethoxyisoquinoline-1-carbaldehyde Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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