2,3-Dioxoindoline-5-carboxylic Acid - CAS 25128-32-9

Catalog:	BB018754
Product Name:	2,3-Dioxoindoline-5-carboxylic Acid
CAS:	25128-32-9
Synonyms:	2,3-dioxo-1H-indole-5-carboxylic acid; 2,3-dioxo-1H-indole-5-carboxylic acid

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2,3-dioxo-1H-indole-5-carboxylic acid
Description:	2,3-Dioxoindoline-5-carboxylic Acid (CAS# 25128-32-9) is a useful research chemical.
Molecular Weight:	191.14
Molecular Formula:	C9H5NO4
Canonical SMILES:	C1=CC2=C(C=C1C(=O)O)C(=O)C(=O)N2
InChI:	InChI=1S/C9H5NO4/c11-7-5-3-4(9(13)14)1-2-6(5)10-8(7)12/h1-3H,(H,13,14)(H,10,11,12)
InChI Key:	SNPPWTIGLNZFRF-UHFFFAOYSA-N
Density:	1.591 g/cm³
MDL:	MFCD00967204
LogP:	0.65760

Publication Number	Title	Priority Date
WO-2021155316-A1	Compounds and uses thereof	20200129
DE-102019218788-A1	Multi-tonal hair coloring process in three steps	20191203
WO-2021110306-A1	Multi-tone hair dyeing method in three steps	20191203
WO-2020079205-A1	New amino-pyrimidonyl-piperidinyl derivatives, a process for their preparation and pharmaceutical compositions containing them	20181019
CN-113038990-A	Novel amino-pyrimidinone-piperidinyl derivatives, process for their preparation and pharmaceutical compositions containing them	20181019

PMID	Publication Date	Title	Journal
16759084	20060615	Isatin compounds as noncovalent SARS coronavirus 3C-like protease inhibitors	Journal of medicinal chemistry

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Related Functional Groups

Carbonyl Compounds

[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.02185764
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	191.02185764
Rotatable Bond Count:	1
Topological Polar Surface Area:	83.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2