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1-butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid

1-butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid - CAS 103854-71-3

Catalog:	BB001237
Product Name:	1-butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid
CAS:	103854-71-3
Synonyms:	1-butyl-6-oxo-3-pyridazinecarboxylic acid; 1-butyl-6-oxopyridazine-3-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	1-butyl-6-oxopyridazine-3-carboxylic acid
Description:	1-butyl-6-oxo-1,6-dihydropyridazine-3-carboxylic acid (CAS# 103854-71-3 ) is a useful research chemical.
Molecular Weight:	196.206
Molecular Formula:	C9H12N2O3
Canonical SMILES:	CCCCN1C(=O)C=CC(=N1)C(=O)O
InChI:	InChI=1S/C9H12N2O3/c1-2-3-6-11-8(12)5-4-7(10-11)9(13)14/h4-5H,2-3,6H2,1H3,(H,13,14)
InChI Key:	HPYLRCBYUYKMLK-UHFFFAOYSA-N
Boiling Point:	344.2 °C at 760 mmHg
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD05263553
LogP:	0.74160

Publication Number	Title	Priority Date
EP-0847391-B1	Aromatic compounds and pharmaceutical compositions containing them	19950620
US-6100258-A	Aromatic amine compounds that antagonize the pain enhancing effects of prostaglandins	19950620
WO-9700864-A1	Aromatic compounds and pharmaceutical compositions containing them	19950620
EP-0773930-B1	Aromatic amino ethers as pain relieving agents	19940725
US-5843942-A	Aromatic amino ethers as pain relieving agents	19940725

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Related Functional Groups

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Complexity:	307
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.08479225
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.08479225
Rotatable Bond Count:	4
Topological Polar Surface Area:	70
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7