Cas no 654077-41-5 (1-Isoquinolinecarbonitrile,8-hydroxy-7-methoxy-(9CI))
654077-41-5 structure
Product Name:1-Isoquinolinecarbonitrile,8-hydroxy-7-methoxy-(9CI)
CAS No:654077-41-5
MF:C11H8N2O2
MW:200.193422317505
CID:1017951
PubChem ID:136652357
Update Time:2025-04-20
1-Isoquinolinecarbonitrile,8-hydroxy-7-methoxy-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1-Isoquinolinecarbonitrile,8-hydroxy-7-methoxy-(9CI)
- DB-268322
- 654077-41-5
- 8-hydroxy-7-methoxyisoquinoline-1-carbonitrile
- 1-Isoquinolinecarbonitrile, 8-hydroxy-7-methoxy-
-
- Inchi： 1S/C11H8N2O2/c1-15-9-3-2-7-4-5-13-8(6-12)10(7)11(9)14/h2-5,14H,1H3
- InChI Key： WUFHYKPDBAQMCA-UHFFFAOYSA-N
- SMILES： O(C)C1C=CC2C=CN=C(C#N)C=2C=1O
Computed Properties
- Exact Mass: 200.058577502g/mol
- Monoisotopic Mass: 200.058577502g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 273
- 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: 1.8
- Topological Polar Surface Area: 66.1?2
1-Isoquinolinecarbonitrile,8-hydroxy-7-methoxy-(9CI) Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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