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

Technical Data

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Computed Properties

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

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

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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

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