7-Methoxyindole - CAS 3189-22-8

Catalog:	BB021089
Product Name:	7-Methoxyindole
CAS:	3189-22-8
Synonyms:	7-methoxy-1H-indole

Technical Data

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Computed Properties

IUPAC Name:	7-methoxy-1H-indole
Description:	7-Methoxyindole (CAS# 3189-22-8) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	COC1=CC=CC2=C1NC=C2
InChI:	InChI=1S/C9H9NO/c1-11-8-4-2-3-7-5-6-10-9(7)8/h2-6,10H,1H3
InChI Key:	FSOPPXYMWZOKRM-UHFFFAOYSA-N
Boiling Point:	108-110 °C (0.3 mmHg)
Purity:	97 %
Density:	1.126 g/cm³
MDL:	MFCD00047203
LogP:	2.17650

Publication Number	Title	Priority Date
CN-112479970-A	Indole beta-site alkylation method without participation of transition metal	20201118
CN-112144074-A	Method for preparing dibit bromoindole by using electrochemical microchannel device	20201026
CN-111303001-A	Synthesis method of indole mono-substituted 2-hydroxy-3- (1H-indol-3-yl) propionic acid compound	20200410
CN-111253300-A	Bisindole compound and preparation method and application thereof	20200330
US-2021301175-A1	Polishing composition	20200330

PMID	Publication Date	Title	Journal
22425563	20120415	Prospective acetylcholinesterase inhibitory activity of indole and its analogs	Bioorganic & medicinal chemistry letters
22241067	20120101	Peculiarity of methoxy group-substituted phenylhydrazones in Fischer indole synthesis	Proceedings of the Japan Academy. Series B, Physical and biological sciences

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Related Functional Groups

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GHS Hazard Statement:	H302 (88.64%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	25 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8