1-Methyl-1H-indazole-6-carboxylic Acid - CAS 1031417-77-2
Catalog: |
BB001027 |
Product Name: |
1-Methyl-1H-indazole-6-carboxylic Acid |
CAS: |
1031417-77-2 |
Synonyms: |
1-methyl-6-indazolecarboxylic acid; 1-methylindazole-6-carboxylic acid |
IUPAC Name: | 1-methylindazole-6-carboxylic acid |
Description: | 1-Methyl-1H-indazole-6-carboxylic Acid (CAS# 1031417-77-2) is a useful research chemical. |
Molecular Weight: | 176.17 |
Molecular Formula: | C9H8N2O2 |
Canonical SMILES: | CN1C2=C(C=CC(=C2)C(=O)O)C=N1 |
InChI: | InChI=1S/C9H8N2O2/c1-11-8-4-6(9(12)13)2-3-7(8)5-10-11/h2-5H,1H3,(H,12,13) |
InChI Key: | DNMTXRJELGPOGW-UHFFFAOYSA-N |
LogP: | 1.27150 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021127166-A1 | Inhibitors of enl/af9 yeats | 20191217 |
CN-110128347-A | A kind of synthetic method of 1- methyl-1 H- indazole -6- formic acid | 20190617 |
WO-2020253533-A1 | Synthesis method for 1-methyl-1h-indazole-6-carboxylic acid | 20190617 |
EP-3831811-A1 | Heterocyclic compound | 20180731 |
JP-2021521104-A | Substituted benzofurans, benzopyrroles, benzothiophenes, and structurally related complement inhibitors | 20180406 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 176.058577502 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 176.058577502 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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