3-Formyl-1H-indole-5-carboxylic acid - CAS 148563-41-1

Catalog:	BB042555
Product Name:	3-Formyl-1H-indole-5-carboxylic acid
CAS:	148563-41-1
Synonyms:	3-Formylindole-5-carboxylic acid; 1H-Indole-5-carboxylic acid, 3-formyl-; SCHEMBL4478696

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-formyl-1H-indole-5-carboxylic acid
Description:	3-Formyl-1H-indole-5-carboxylic acid (CAS# 148563-41-1 ) is a useful research chemical.
Molecular Weight:	189.17
Molecular Formula:	C10H7NO3
Canonical SMILES:	C1=CC2=C(C=C1C(=O)O)C(=CN2)C=O
InChI:	InChI=1S/C10H7NO3/c12-5-7-4-11-9-2-1-6(10(13)14)3-8(7)9/h1-5,11H,(H,13,14)
InChI Key:	TUXSUQLMUWDUDS-UHFFFAOYSA-N

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Indoles

[2642-37-7]
Indoxyl sulfate potassium salt
[20776-45-8]
5-Benzyloxytryptamine
[365547-91-7]
Ethyl 2-amino-5-chloro-1H-indole-3-carboxylate
[1375064-43-9]
Ethyl 3-Bromo-7-methylindole-1-carboxylate
[20538-12-9]
Ethyl 7-methoxy-1H-indole-2-carboxylate
[32996-16-0]
Ethyl indole-5-carboxylate

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.042593085
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	189.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	70.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2