Cas no 856893-66-8 (4-Methoxy-6-methyl-1H-indazole-3-carboxylic acid)
856893-66-8 structure
Product Name:4-Methoxy-6-methyl-1H-indazole-3-carboxylic acid
CAS No:856893-66-8
MF:C10H10N2O3
MW:206.198002338409
CID:2808209
PubChem ID:24728818
Update Time:2025-04-21
4-Methoxy-6-methyl-1H-indazole-3-carboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 4-methoxy-6-methyl-1H-indazole-3-carboxylic acid
- 4-METHOXY-6-METHYL-3-(1H)INDAZOLE CARBOXYLIC ACID
- DTXSID50646513
- 856893-66-8
- 4-Methoxy-6-methyl-1H-indazole-3-carboxylic acid
-
- Inchi： 1S/C10H10N2O3/c1-5-3-6-8(7(4-5)15-2)9(10(13)14)12-11-6/h3-4H,1-2H3,(H,11,12)(H,13,14)
- InChI Key： BLMZFBURZKFIRT-UHFFFAOYSA-N
- SMILES： O(C)C1=CC(C)=CC2=C1C(C(=O)O)=NN2
Computed Properties
- Exact Mass: 206.06914219Da
- Monoisotopic Mass: 206.06914219Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 259
- 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: 1.7
- Topological Polar Surface Area: 75.2?2
4-Methoxy-6-methyl-1H-indazole-3-carboxylic acid Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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