Cas no 1337880-89-3 (3-hydroxy-7-isoquinolinecarboxylic Acid)
1337880-89-3 structure
Product Name:3-hydroxy-7-isoquinolinecarboxylic Acid
CAS No:1337880-89-3
MF:C10H7NO3
MW:189.167482614517
CID:1233669
PubChem ID:129978841
Update Time:2025-04-20
3-hydroxy-7-isoquinolinecarboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroxy-7-isoquinolinecarboxylic Acid
- 1337880-89-3
- AT32112
- SCHEMBL23535686
- 3-hydroxyisoquinoline-7-carboxylic acid
-
- Inchi： 1S/C10H7NO3/c12-9-4-6-1-2-7(10(13)14)3-8(6)5-11-9/h1-5H,(H,11,12)(H,13,14)
- InChI Key： MHKAJFCCHPRRII-UHFFFAOYSA-N
- SMILES： O=C1C=C2C=CC(C(=O)O)=CC2=CN1
Computed Properties
- Exact Mass: 189.042593085g/mol
- Monoisotopic Mass: 189.042593085g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 438
- 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: -0.2
- Topological Polar Surface Area: 66.4?2
3-hydroxy-7-isoquinolinecarboxylic Acid Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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