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Methyl 4-Hydroxybenzothiazole-6-carboxylate

Methyl 4-Hydroxybenzothiazole-6-carboxylate - CAS 955886-86-9

Catalog:	BB041765
Product Name:	Methyl 4-Hydroxybenzothiazole-6-carboxylate
CAS:	955886-86-9
Synonyms:	4-hydroxy-1,3-benzothiazole-6-carboxylic acid methyl ester; methyl 4-hydroxy-1,3-benzothiazole-6-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-hydroxy-1,3-benzothiazole-6-carboxylate
Description:	Methyl 4-Hydroxybenzothiazole-6-carboxylate (CAS# 955886-86-9 ) is a useful research chemical.
Molecular Weight:	209.22
Molecular Formula:	C9H7NO3S
Canonical SMILES:	COC(=O)C1=CC(=C2C(=C1)SC=N2)O
InChI:	InChI=1S/C9H7NO3S/c1-13-9(12)5-2-6(11)8-7(3-5)14-4-10-8/h2-4,11H,1H3
InChI Key:	MINVRJODYUVTHC-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2017342156-A1	1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors	20161013
CA-3038756-A1	1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin d synthase inhibitors	20161013
CN-110072857-A	The disubstituted cyclobutanone of 1,3- or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitor	20161013
EP-3526206-A1	1,3 di-substituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin d synthase inhibitors	20161013
JP-2019536757-A	1,3-Disubstituted cyclobutane or azetidine derivatives as hematopoietic prostaglandin D synthase inhibitors	20161013

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Complexity:	236
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.01466426
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.01466426
Rotatable Bond Count:	2
Topological Polar Surface Area:	87.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9