5-Methoxyindolin-2-one - CAS 7699-18-5

Catalog:	BB035776
Product Name:	5-Methoxyindolin-2-one
CAS:	7699-18-5
Synonyms:	5-methoxy-1,3-dihydroindol-2-one; 5-methoxy-1,3-dihydroindol-2-one

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	5-methoxy-1,3-dihydroindol-2-one
Description:	5-Methoxyindolin-2-one (CAS# 7699-18-5) is a useful research chemical.
Molecular Weight:	163.17
Molecular Formula:	C9H9NO2
Canonical SMILES:	COC1=CC2=C(C=C1)NC(=O)C2
InChI:	InChI=1S/C9H9NO2/c1-12-7-2-3-8-6(4-7)5-9(11)10-8/h2-4H,5H2,1H3,(H,10,11)
InChI Key:	DFGZEOUBIHLXFD-UHFFFAOYSA-N
Boiling Point:	316.4 °C at 760 mmHg
Density:	1.155 g/cm³
MDL:	MFCD01860251
LogP:	1.32780

Publication Number	Title	Priority Date
CN-110256429-B	Aminopyrimidine compound with spiro structure and preparation method and application thereof	20190617
CN-110194833-B	Catalyst system for initiating lactide ring-opening polymerization and preparation method of polylactic acid	20180226
KR-20190082675-A	Method for producing lactam compound	20180102
WO-2019135604-A1	Method for producing lactam compound, and lactam compound produced thereby	20180102
AU-2019205884-A1	Method for producing lactam compound, and lactam compound produced thereby	20180102

PMID	Publication Date	Title	Journal
18598018	20080814	Antitumor activity of bis-indole derivatives	Journal of medicinal chemistry

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[20776-45-8]
5-Benzyloxytryptamine
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate
[879-37-8]
Indole-3-acetamide

GHS Hazard Statement:	H302 (50%): 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:	193
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	163.063328530
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	163.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1