Cas no 651030-50-1 (Benzaldehyde, 3-(5-hydroxy-1-methoxy-4-isoquinolinyl)-)
651030-50-1 structure
Product Name:Benzaldehyde, 3-(5-hydroxy-1-methoxy-4-isoquinolinyl)-
CAS No:651030-50-1
MF:C17H13NO3
MW:279.290024518967
CID:407513
PubChem ID:23077376
Update Time:2025-04-19
Benzaldehyde, 3-(5-hydroxy-1-methoxy-4-isoquinolinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzaldehyde, 3-(5-hydroxy-1-methoxy-4-isoquinolinyl)-
- 3-(5-hydroxy-1-methoxyisoquinolin-4-yl)benzaldehyde
- DTXSID40630320
- SCHEMBL4810395
- 651030-50-1
-
- Inchi： 1S/C17H13NO3/c1-21-17-13-6-3-7-15(20)16(13)14(9-18-17)12-5-2-4-11(8-12)10-19/h2-10,20H,1H3
- InChI Key： LCWMAVZLYXYLKB-UHFFFAOYSA-N
- SMILES： O(C)C1C2C=CC=C(C=2C(=CN=1)C1C=CC=C(C=O)C=1)O
Computed Properties
- Exact Mass: 279.08959
- Monoisotopic Mass: 279.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 362
- 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: 3.1
- Topological Polar Surface Area: 59.4?2
Experimental Properties
- PSA: 59.42
Benzaldehyde, 3-(5-hydroxy-1-methoxy-4-isoquinolinyl)- Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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