2-Methoxy-4-(1H-tetrazol-5-yl)phenol - CAS 376609-66-4

Catalog:	BB023379
Product Name:	2-Methoxy-4-(1H-tetrazol-5-yl)phenol
CAS:	376609-66-4
Synonyms:	2-methoxy-4-(2H-tetrazol-5-yl)phenol; 2-methoxy-4-(2H-tetrazol-5-yl)phenol

Technical Data

Patents

Computed Properties

IUPAC Name:	2-methoxy-4-(2H-tetrazol-5-yl)phenol
Description:	2-Methoxy-4-(1H-tetrazol-5-yl)phenol (CAS# 376609-66-4) is a useful reactant for the preparation TRPA1 ligands.
Molecular Weight:	192.17
Molecular Formula:	C8H8N4O2
Canonical SMILES:	COC1=C(C=CC(=C1)C2=NNN=N2)O
InChI:	InChI=1S/C8H8N4O2/c1-14-7-4-5(2-3-6(7)13)8-9-11-12-10-8/h2-4,13H,1H3,(H,9,10,11,12)
InChI Key:	ODAXBFZKBKYTGD-UHFFFAOYSA-N
LogP:	0.58090

Publication Number	Title	Priority Date
US-2009123563-A1	Pharmaceutical Preparations Comprising Insulin, Zinc Ions and Zinc-Binding Ligand	20050207
WO-2006082245-A1	Pharmaceutical preparations comprising insulin, zinc ions and a zinc-binding ligand	20050207
JP-2008505866-A	Pharmaceutical preparation containing insulin	20040709
EP-1605967-A1	Novel nph insulin preparations	20030313
JP-2006519791-A	New NPH insulin preparation	20030313

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Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	192.06472551
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	192.06472551
Rotatable Bond Count:	2
Topological Polar Surface Area:	83.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8