Cas no 105956-71-6 (1-Isoquinolinecarboxylic acid, 3-methyl-)
105956-71-6 structure
Product Name:1-Isoquinolinecarboxylic acid, 3-methyl-
CAS No:105956-71-6
MF:C11H9NO2
MW:187.194662809372
CID:1167096
PubChem ID:21928002
Update Time:2025-04-20
1-Isoquinolinecarboxylic acid, 3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1-Isoquinolinecarboxylic acid, 3-methyl-
- 3-Methyl-1-isoquinolinecarboxylic acid
- SCHEMBL4284692
- 105956-71-6
- AKOS006320236
- DB-411192
-
- Inchi： 1S/C11H9NO2/c1-7-6-8-4-2-3-5-9(8)10(12-7)11(13)14/h2-6H,1H3,(H,13,14)
- InChI Key： UBRGXIGFBDMJPA-UHFFFAOYSA-N
- SMILES： OC(C1C2C=CC=CC=2C=C(C)N=1)=O
Computed Properties
- Exact Mass: 187.06337
- Monoisotopic Mass: 187.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 229
- 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: 2.4
- Topological Polar Surface Area: 50.2?2
Experimental Properties
- PSA: 50.19
1-Isoquinolinecarboxylic acid, 3-methyl- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
105956-71-6 (1-Isoquinolinecarboxylic acid, 3-methyl-) Related Products
- 486-73-7(Isoquinoline-1-carboxylic acid)
- 203626-75-9(Isoquinoline-3-carboxylic Acid Hydrate)
- 1197-10-0(6-(Hydroxymethyl)picolinic acid)
- 207399-25-5(Isoquinoline-3-carboxylic Acid Hydrate)
- 934-60-1(6-Methylpicolinic acid)
- 499214-11-8(6-Formylpyridine-2-carboxylic acid)
- 499-83-2(Pyridine-2,6-dicarboxylic acid)
- 6624-49-3(Isoquinoline-3-carboxylic Acid)
- 109839-13-6(2H-Isoindole-1-carboxylic acid)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
Recommended suppliers
Suzhou Senfeida Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
PRIBOLAB PTE.LTD
Gold Member
Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
