Indole-4-carboxylic acid - CAS 2124-55-2

Catalog:	BB016726
Product Name:	Indole-4-carboxylic acid
CAS:	2124-55-2
Synonyms:	1H-indole-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	1H-indole-4-carboxylic acid
Description:	Indole-4-carboxylic acid (CAS# 2124-55-2) is a useful research chemical.
Molecular Weight:	161.16
Molecular Formula:	C9H7NO2
Canonical SMILES:	C1=CC(=C2C=CNC2=C1)C(=O)O
InChI:	InChI=1S/C9H7NO2/c11-9(12)7-2-1-3-8-6(7)4-5-10-8/h1-5,10H,(H,11,12)
InChI Key:	ROGHUJUFCRFUSO-UHFFFAOYSA-N
Boiling Point:	419.6 °C at 760 mmHg
Melting Point:	213-214 °C
Purity:	95 %
Density:	1.408 g/cm³
Appearance:	Beige powder
Storage:	Keep Cold
MDL:	MFCD00009739
LogP:	1.86610

Publication Number	Title	Priority Date
WO-2021201126-A1	Amide compound or salt thereof, pharmaceutical composition and histone deacetylase inhibitor	20200331
US-2021301175-A1	Polishing composition	20200330
CN-111150173-A	Shock attenuation sole and shock attenuation shoes	20200121
CN-111150196-A	Electronic device package containing dilatant component	20200121
CN-111166031-A	Dilatancy nature electronic product protective sheath/shell	20200121

PMID	Publication Date	Title	Journal
22425563	20120415	Prospective acetylcholinesterase inhibitory activity of indole and its analogs	Bioorganic & medicinal chemistry letters

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Related Functional Groups

Carbonyl Compounds

[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
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

Indoles

[20776-45-8]
5-Benzyloxytryptamine
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[1375064-59-7]
Ethyl 3-Bromoindole-1-carboxylate
[61149-52-8]
Ethyl 4-methyl-7-nitro-1H-indole-2-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:	161.047678466
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	161.047678466
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3