4-Methoxyindole-3-carbaldehyde - CAS 90734-97-7

Catalog:	BB039940
Product Name:	4-Methoxyindole-3-carbaldehyde
CAS:	90734-97-7
Synonyms:	4-methoxy-1H-indole-3-carboxaldehyde; 4-methoxy-1H-indole-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	4-methoxy-1H-indole-3-carbaldehyde
Description:	4-Methoxyindole-3-carbaldehyde (CAS# 90734-97-7) is a nitrosatable mutagen precursor found in Chinese cabbage.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	COC1=CC=CC2=C1C(=CN2)C=O
InChI:	InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-10(9)7(6-12)5-11-8/h2-6,11H,1H3
InChI Key:	GDVCEQRAPMIJBG-UHFFFAOYSA-N
Boiling Point:	375.2 °C at 760 mmHg
Density:	1.273 g/cm³
Appearance:	Solid
MDL:	MFCD00152191
LogP:	1.98900

Publication Number	Title	Priority Date
AU-2017300841-A1	Imidazolyl-substituted indole derivatives binding 5-HT7 serotonin receptor and pharmaceutical compositions thereof	20160721
CA-3031006-A1	Imidazolyl-substituted indole derivatives binding 5-ht7 serotonin receptor and pharmaceutical compositions thereof	20160721
CN-109641877-A	In conjunction with 5-HT7The indole derivatives replaced through imidazole radicals and its pharmaceutical composition of serotonin receptor	20160721
EP-3272745-A1	Imidazolyl-substituted indole derivatives binding 5-ht7 serotonin receptor and pharmaceutical compositions thereof	20160721
EP-3272745-B1	Imidazolyl-substituted indole derivatives binding 5-ht7 serotonin receptor and pharmaceutical compositions thereof	20160721

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[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
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

Complexity:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06332853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5