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(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid

(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid - CAS 121073-74-3

Name: (3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB005029
Product Name:	(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid
CAS:	121073-74-3
Synonyms:	2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetic acid

Technical Data

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Computed Properties

IUPAC Name:	2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)acetic acid
Description:	(3,6-Dioxo-1,2,3,6-tetrahydropyridazin-4-yl)acetic acid (CAS# 121073-74-3) is a useful research chemical.
Molecular Weight:	170.12
Molecular Formula:	C6H6N2O4
Canonical SMILES:	C1=C(C(=O)NNC1=O)CC(=O)O
InChI:	InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)6(12)8-7-4/h1H,2H2,(H,7,9)(H,8,12)(H,10,11)
InChI Key:	MIXPCRZDRIRXJD-UHFFFAOYSA-N
Purity:	95 %
Density:	1.479 g/cm³
MDL:	MFCD00297121
LogP:	-1.30970

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Related Functional Groups

Pyridazines

[19064-64-3]C5H4Cl2N2
3,6-Dichloro-4-methylpyridazine
[50681-25-9]C5H4N2O2
4-Pyridazinecarboxylic acid
[1187874-30-1]C15H15F3N4O
6-(4-(Piperazin-1-yl)-3-(trifluoromethyl)phenyl)pyridazin-3(2H)-one
[1469287-08-8]C8H8N2O2
1-(pyridazin-3-yl)cyclopropane-1-carboxylic acid
[933-76-6]C5H4Cl2N2O
4,5-Dichloro-2-methyl-3(2H)-pyridazinone
[645405-18-1]C9H11ClN2O3
4-Chloro-5-hydroxy-2-(2-tetrahydropyranyl)pyridazin-3(2H)-one

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
EP-2005995-A1	Heterocyclic compounds for the treatment of tuberculosis	20070622
EP-2167196-A1	Heterocyclic compounds for the treatment of tuberculosis	20070622
US-2010184751-A1	Heterocyclic compounds for the treatment of tuberculosis	20070622
WO-2009000745-A1	Heterocyclic compounds for the treatment of tuberculosis	20070622
EP-1980251-A1	Pyrrolo[3,2,1-ij]quinoline-4-one derivatives for treating tuberculosis	20070413

Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.03275668
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	170.03275668
Rotatable Bond Count:	2
Topological Polar Surface Area:	95.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1.5