Cas no 1337879-89-6 (3-hydroxy-5-isoquinolinecarboxylic Acid)
1337879-89-6 structure
Product Name:3-hydroxy-5-isoquinolinecarboxylic Acid
CAS No:1337879-89-6
MF:C10H7NO3
MW:189.167482614517
CID:1233662
PubChem ID:129978839
Update Time:2025-04-20
3-hydroxy-5-isoquinolinecarboxylic Acid Chemical and Physical Properties
Names and Identifiers
-
- 3-hydroxy-5-isoquinolinecarboxylic Acid
- 3-hydroxyisoquinoline-5-carboxylic acid
- 3-Oxo-2,3-dihydroisoquinoline-5-carboxylic acid
- AT32113
- 1337879-89-6
-
- Inchi： 1S/C10H7NO3/c12-9-4-8-6(5-11-9)2-1-3-7(8)10(13)14/h1-5H,(H,11,12)(H,13,14)
- InChI Key： MQMWXYDXTLRCBC-UHFFFAOYSA-N
- SMILES： O=C1C=C2C(C(=O)O)=CC=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-5-isoquinolinecarboxylic Acid Related Literature
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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