6-Methoxyisatin - CAS 52351-75-4

Catalog:	BB027799
Product Name:	6-Methoxyisatin
CAS:	52351-75-4
Synonyms:	6-methoxy-1H-indole-2,3-dione; 6-methoxy-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	6-methoxy-1H-indole-2,3-dione
Description:	6-Methoxyisatin (CAS# 52351-75-4) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C9H7NO3
Canonical SMILES:	COC1=CC2=C(C=C1)C(=O)C(=O)N2
InChI:	InChI=1S/C9H7NO3/c1-13-5-2-3-6-7(4-5)10-9(12)8(6)11/h2-4H,1H3,(H,10,11,12)
InChI Key:	MOJHIZLOKWRPIS-UHFFFAOYSA-N
Density:	1.346 g/cm³
LogP:	0.96800

Publication Number	Title	Priority Date
CN-110846675-A	Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound	20191025
CN-110846675-B	Synthetic method of 2- (5-aryl-1, 3, 4-oxadiazole-2-yl) aniline compound	20191025
CN-110540541-A	6H-indolo [2,3-b ] quinoxaline compound and preparation method and application thereof	20190911
KR-20210008819-A	Benzofuran-based n-acylhydrazone derivatives and pharmaceutical composition comprising the same	20190715
WO-2021010731-A1	Benzofuran-based n-acylhydrazone derivative and pharmaceutical composition comprising same	20190715

PMID	Publication Date	Title	Journal
21855337	20111001	Design and evaluation of a novel fluorescent CB2 ligand as probe for receptor visualization in immune cells	Bioorganic & medicinal chemistry letters
18239306	20080201	Two new alkaloids from Capparis himalayensis	Chemical & pharmaceutical bulletin

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Related Functional Groups

Indolines

[1427475-17-9]
N-(3-Indolinylmethyl)benzylamine
[261732-38-1]
N-Boc-5-bromoindoline
[143262-20-8]
N-Boc-indoline-7-carboxylic acid
[350683-40-8]
Ethyl indoline-6-carboxylate
[61394-50-1]
5-Cyanooxindole
[75805-17-3]
3-[4-(diethylamino)phenyl]-3-(1-ethyl-2-methyl-1H-indol-3-yl)phthalide

GHS Hazard Statement:	H302 (95%): 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

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.042593085
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	177.042593085
Rotatable Bond Count:	1
Topological Polar Surface Area:	55.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6