Cas no 87954-16-3 (4-Isoquinolinecarbonitrile, 1-methoxy-)
87954-16-3 structure
Product Name:4-Isoquinolinecarbonitrile, 1-methoxy-
CAS No:87954-16-3
MF:C11H8N2O
MW:184.19402217865
CID:650211
PubChem ID:13126945
Update Time:2025-04-19
4-Isoquinolinecarbonitrile, 1-methoxy- Chemical and Physical Properties
Names and Identifiers
-
- 4-Isoquinolinecarbonitrile, 1-methoxy-
- 1-methoxyisoquinoline-4-carbonitrile
- 1-methoxy-4-isoquinolinecarbonitrile
- 87954-16-3
- DTXSID10520143
- 1-methoxy-isoquinoline-4-carbonitrile
-
- Inchi： 1S/C11H8N2O/c1-14-11-10-5-3-2-4-9(10)8(6-12)7-13-11/h2-5,7H,1H3
- InChI Key： UUOLORNXABWKEA-UHFFFAOYSA-N
- SMILES： O(C)C1C2C=CC=CC=2C(C#N)=CN=1
Computed Properties
- Exact Mass: 184.063662883g/mol
- Monoisotopic Mass: 184.063662883g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 245
- 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: 2.1
- Topological Polar Surface Area: 45.9?2
4-Isoquinolinecarbonitrile, 1-methoxy- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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