7-Methylindoline-2,3-dione - CAS 1127-59-9

Name: 7-Methylindoline-2,3-dione
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB003042
Product Name:	7-Methylindoline-2,3-dione
CAS:	1127-59-9
Synonyms:	7-methyl-1H-indole-2,3-dione; 7-methyl-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	7-methyl-1H-indole-2,3-dione
Description:	7-Methylindoline-2,3-dione (CAS# 1127-59-9) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C9H7NO2
Canonical SMILES:	CC1=CC=CC2=C1NC(=O)C2=O
InChI:	InChI=1S/C9H7NO2/c1-5-3-2-4-6-7(5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChI Key:	UEHZKEABUOAZSH-UHFFFAOYSA-N
Boiling Point:	95-98 °C / 0.05 mmHg (lit.)
Density:	1.301 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
MDL:	MFCD00022797
LogP:	1.26780

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Related Functional Groups

Carbonyl Compounds

[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-112778147-A	Preparation method of 2-amino-3-methyl-5-chlorobenzoic acid	20201230
US-10981868-B1	Single step regioselective cyclization and chlorination of hydroxyamino-N-(2-methylphenyl)acetamide to 5-chloro-7-methylindoline-2,3-dione	20200812
CN-111187233-A	Polysubstituted benzothiazole and derivative and synthesis method thereof	20200118
CN-110964018-A	Indole derivative and application thereof	20191203
WO-2021086957-A1	An efficient new process for synthesis of 2-amino-5-chloro-n-,3-dimethylbenzamide	20191101

PMID	Publication Date	Title	Journal
23056190	20120101	A comprehensive strategy to discover inhibitors of the translesion synthesis DNA polymerase κ	PloS one
17378546	20070419	Selective inhibition of carboxylesterases by isatins, indole-2,3-diones	Journal of medicinal chemistry

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.047678466
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	161.047678466
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2